UCSF

ZINC39090849

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) 1.29 3.28 -5.79 2 3 0 52 151.213 2
Mid Mid (pH 6-8) 1.29 3.73 -26.03 3 3 1 53 152.221 2

Activity (Go SEA)

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