UCSF

ZINC21715184

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 20 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 8.36 -50.25 2 4 0 66 272.348 7
Mid Mid (pH 6-8) 4.39 7.92 -50.57 1 4 -1 65 271.34 7

Activity (Go SEA)

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