UCSF

ZINC33804374

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 9 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) -0.55 -1.95 -11.84 2 3 0 53 125.127 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0078191A2; US4428939; US4625016; US4672031; US5372807; US5660822; US5720950; WO1999047507A2; WO2000069821A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0719258A1; US5786367; WO1996002508A1 IBM Patent Data

Activity (Go SEA)

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