UCSF

ZINC34599545

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.71 5.85 -6.88 1 2 0 36 188.274 5
Mid Mid (pH 6-8) 2.71 6.99 -47.05 2 2 1 40 189.282 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0897912A1; US5854234; US6046211; US6071906; WO1995011231A1 IBM Patent Data

Activity (Go SEA)

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