UCSF

ZINC45647277

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.74 3.98 -42.95 4 3 1 57 225.356 5
Mid Mid (pH 6-8) 1.74 3.7 -5.21 3 3 0 55 224.348 5

Activity (Go SEA)

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