UCSF

ZINC01688738

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) 4.66 12.04 -14.47 0 4 0 45 326.288 6

Vendor Notes

Note Type Comments Provided By
BP 220 / 11 TCI
Boiling_Point 247-250?/11mm Alfa-Aesar
Boiling_Point 247-250°/11mm Alfa-Aesar
BP [°C] 265 (p=10 torr) Acros Organics
BP [°C] 370 Acros Organics
Mp [°C] 47 - 53 Acros Organics
Melting_Point 48-52? Alfa-Aesar
Melting_Point 48-52° Alfa-Aesar
MP 50 TCI
UniProt Database Links ACOA_BACSU; ACOB_BACSU; ACOB_CUPNH; CAYP1_CANFA; CHDH_AZOSP; COMDE_METAC; COME_METJA; COME_METTH; DCIP_AZOBR; DCIP_ENTCL; GCL_ECO57; GCL_ECOLI; GOB1_BRUMA; GOB1_CAEBR; GOB1_CAEEL; HACL1_DICDI; HACL1_HUMAN; HACL1_MOUSE; HACL1_RAT; HACL_ARATH; HACL_ORYSJ; I ChEBI
H phrase H410: Very toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects; H370: Causes damage to organs Acros Organics
Hazard N: Dangerous for the environment Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
P phrase P273: Avoid release to the environment; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Con Acros Organics
P phrase P273: Avoid release to the environment; P391: Collect spillage; P501: Dispose of contents/container to an approved waste disposal plant Acros Organics
R phrase R39/23/24/25: Toxic : danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R39/23/24/25: Toxic : danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
R phrase R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S20/21: When using do not eat, drink or smoke. Acros Organics
S phrase S20/21: When using do not eat, drink or smoke.; S28A: After contact with skin, wash immediately with plenty of water.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to Acros Organics
S phrase S29: Do not empty into drains. Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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