UCSF

ZINC01554037

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 Yes

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) 0.11 2.88 -47.52 0 3 -1 57 207.23 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.28e-01 g/l DrugBank-experimental
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
Patent Database Links EP1658846; EP1749821; EP1757284; EP1837332; EP1842539; US2005054632; US2006205794; US2008279932; WO2006078754; WO2006095183; WO2007107373; WO2007115776; WO2008132746; WO2008132748 ChEBI
Patent Database Links EP1700858; EP1747779; EP1749820; EP1810693; EP1854795; EP1882474; EP1894567; EP1967181; US2006205770; US2007249660; US2008064752; US2008293728; WO2005042489; WO2005061519; WO2006000371; WO2006021458; WO2006023676; WO2006032432; WO2006069809; WO2006133397 ChEBI
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
UniProt Database Links NSAC_SPHXE ChEBI
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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. Continue r Acros Organics
R phrase R34: Causes burns. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics
Purity ¡Ý98% APIChem

Activity (Go SEA)

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