UCSF

ZINC57994127

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 20 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) 3.47 9.17 -110.39 3 3 2 30 343.309 7
Mid Mid (pH 6-8) 3.47 6.99 -46.24 2 3 1 29 342.301 7
Mid Mid (pH 6-8) 3.47 7.95 -36.33 2 3 1 26 342.301 7

Activity (Go SEA)

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