UCSF

ZINC53932655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 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) 1.85 5.56 -35.11 2 3 1 28 263.405 5
Mid Mid (pH 6-8) 1.85 7.79 -100.96 3 3 2 29 264.413 5
Mid Mid (pH 6-8) 1.85 5.16 -38.01 2 3 1 28 263.405 5

Activity (Go SEA)

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