UCSF

ZINC34535336

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 1.81 1.99 -6.38 2 3 0 50 214.305 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0697389A1; EP0839179A1; US5654489; US5747443; WO1997003169A1; WO1998017750A1; WO1998017756A1; WO1998047991A1 IBM Patent Data

Activity (Go SEA)

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