UCSF

ZINC40358984

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 22 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) 5.05 9.53 -28.39 2 3 1 43 311.792 3
Mid Mid (pH 6-8) 5.05 9.17 -10.39 1 3 0 42 310.784 3

Activity (Go SEA)

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