UCSF

ZINC35719193

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 2.89 8.95 -45.25 1 2 1 28 249.403 3
Mid Mid (pH 6-8) 2.89 6.92 -8.13 0 2 0 27 248.395 3

Activity (Go SEA)

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