UCSF

ZINC40401293

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 31 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) 4.08 14.71 -80.57 2 7 2 56 427.593 5
Hi High (pH 8-9.5) 4.08 14.39 -39.57 1 7 1 55 426.585 5
Mid Mid (pH 6-8) 4.08 14.7 -82.4 2 7 2 56 427.593 5

Activity (Go SEA)

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