UCSF

ZINC27789166

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 26 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) 4.39 12.66 -47.67 1 4 1 31 370.904 7
Mid Mid (pH 6-8) 4.39 10.12 -11.52 0 4 0 30 369.896 7

Activity (Go SEA)

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