UCSF

ZINC40409407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 11 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) 0.79 4.32 -115.43 4 2 2 33 156.273 4
Mid Mid (pH 6-8) 0.79 3.06 -34.76 3 2 1 29 155.265 4

Activity (Go SEA)

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