UCSF

ZINC64691666

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2011 24 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) 0.84 3.19 -43.84 5 7 1 109 339.46 6
Hi High (pH 8-9.5) 0.84 1.85 -16.1 4 7 0 105 338.452 6

Activity (Go SEA)

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