UCSF

ZINC54489619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2010 16 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) 0.35 5.95 -59.98 1 5 -1 72 227.284 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0959882A1; EP0998263A1; WO1998029117A1; WO1998055090A1; WO1999014998A2 IBM Patent Data

Activity (Go SEA)

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