UCSF

ZINC44627060

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 1.91 6.25 -38.52 2 3 1 43 188.291 8
Mid Mid (pH 6-8) 1.91 4.89 -4.47 1 3 0 38 187.283 8

Activity (Go SEA)

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