UCSF

ZINC20126925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.87 8.68 -113.72 3 3 2 30 264.413 7
Mid Mid (pH 6-8) 2.87 7.5 -34.26 2 3 1 26 263.405 7

Activity (Go SEA)

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