UCSF

ZINC34582538

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) -2.12 -10.17 -8.73 5 6 0 110 180.156 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0423099A1; EP0581916A1; EP0581916B1; US4497649; US4521240; US4987223; US4994572; US5200523; US5248779; US6143443; WO1996035239A1; WO2000042053A1 IBM Patent Data

Activity (Go SEA)

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