UCSF

ZINC34674171

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 20 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) 3.67 10.29 -42.54 1 3 1 37 273.4 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000006254A2 IBM Patent Data

Activity (Go SEA)

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