UCSF

ZINC34823166

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 19 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) 0.58 7.56 -96.61 3 5 2 42 265.405 4
Mid Mid (pH 6-8) 0.58 5.18 -36.42 2 5 1 41 264.397 4

Activity (Go SEA)

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