UCSF

ZINC19230196

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 8 No

Popular Name: L-Cysteine methyl ester hydrochloride L-Cysteine methyl ester hydrochl…

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CAS Numbers: 18598-63-5 , 18598-63-5, 2485-62-3 [me , 2485-62-3 , 2485-62-3, 18598-63-5 [hydrochloride] , 5714-80-7 , 70360-61-4 , 70361-61-4

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) -0.64 0.21 -4.14 2 3 0 52 135.188 3 ↓
Hi High (pH 8-9.5) -0.64 0.74 -37.06 2 3 -1 52 134.18 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 140° Matrix Scientific
MP 141 - 143 Enamine Building Blocks
MP 142 - 144 Enamine Building Blocks
MP 142...144 Enamine Building Blocks
Mp [°C] 143 - 144 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97 Fluorochem
UniProt Database Links CDC42_AEDAE; CDC42_ANOGA; CDC42_ASHGO; CDC42_BOVIN; CDC42_CAEEL; CDC42_CANAL; CDC42_CANAW; CDC42_CANFA; CDC42_CHICK; CDC42_COLGL; CDC42_DROME; CDC42_DROPS; CDC42_HUMAN; CDC42_MACFA; CDC42_MOUSE; CDC42_PIG; CDC42_RAT; CDC42_SCHPO; CDC42_YEAST; CENPE_HUMAN ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Therapy mucolytic SMDC MicroSource
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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