UCSF

ZINC34674316

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 17 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) 1.19 5.35 -12.59 0 4 0 60 229.283 6
Mid Mid (pH 6-8) 1.19 7.76 -52.46 1 4 1 61 230.291 6

Activity (Go SEA)

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