UCSF

ZINC34621822

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 11 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) 1.01 0.36 -5.06 1 3 0 39 160.213 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4153614; US4201879; US4234490; US4616092 IBM Patent Data

Activity (Go SEA)

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