UCSF

ZINC08418524

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 5 Yes

Popular Name: Mesic acid Mesic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2386-52-9 , 2386-56-3 , 5188-07-8 , 53408-94-9 , 75-75-2 , [5188-07-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.60 -5.67 -40.36 0 3 -1 57 95.099 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 27? Alfa-Aesar
Boiling_Point 166-168?/10mm Alfa-Aesar
Boiling_Point 166-168°/10mm Alfa-Aesar
BP [°C] 167 (p=10 torr) Acros Organics
Mp [°C] 19 Acros Organics
Melting_Point 19-20? Alfa-Aesar
Melting_Point 19-20° Alfa-Aesar
Mp [°C] 252 - 256 Acros Organics
UniProt Database Links APEX1_BOVIN; APEX1_GORGO; APEX1_HUMAN; APEX1_MOUSE; APEX1_PANPA; APEX1_PANTR; APEX1_PONPY; APEX1_RAT; GENL2_ORYSJ; HDM_DROME; HERP1_HUMAN; HMGB1_ARATH; INO80_ARATH; KU_BACSU; MAG2_SCHPO; MET18_YEAST; MMS1_YEAST; MMS22_BOVIN; MMS22_CHICK; MMS22_DANRE; MMS2 ChEBI
Hazard C: Corrosive Acros Organics
Patent Database Links EP0776891; EP0776895; EP0790238; EP0792876; EP0812824; EP0816337; EP0816347; EP0822195; EP0829482; EP0832889; EP0842930; EP0848001; EP0857725; EP0872473; EP0872474; EP0879819; EP0891962; EP0897924; EP0900787; EP0902023; EP0915089; EP0915092; EP0930297; EP ChEBI
Patent Database Links EP0776891; EP0816347; EP0992503; EP1095939; EP1201662; EP1277471; EP1285656; EP1310254; EP1312605; EP1386902; EP1386908; EP1416324; EP1510208; EP1553092; EP1571142; EP1586571; EP1589002; EP1614689; EP1632235; EP1650204; EP1652525; EP1652853; EP1658846; EP ChEBI
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H290: May be corrosive to metals Acros Organics
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P361: Remove/Take off immediately all contaminated clothing; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P301 + P330 + P331: IF SWALLOWED: rinse mouth Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.