UCSF

ZINC37043232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.27 0.82 -55.39 2 6 -1 107 272.302 7
Hi High (pH 8-9.5) 0.27 1 -104.73 1 6 -2 109 271.294 7

Activity (Go SEA)

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