UCSF

ZINC06577023

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 21 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) 2.36 5.29 -10.67 3 6 0 82 291.351 7
Mid Mid (pH 6-8) 2.36 5.4 -37.83 4 6 1 84 292.359 7

Activity (Go SEA)

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