UCSF

ZINC34595146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 No

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) 2.78 6.1 -9.25 2 4 0 65 294.713 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0548593A1; EP0548593B1; EP0834503A1; EP0879239A1; US4770695; US4826533; US4954159; US5324709; US5405828; US5817603; WO1993022280A1 IBM Patent Data

Activity (Go SEA)

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