UCSF

ZINC20072087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 1.72 5.84 -39.73 2 3 1 26 247.362 2
Mid Mid (pH 6-8) 1.72 3.98 -3.6 1 3 0 24 246.354 2

Activity (Go SEA)

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