UCSF

ZINC42062562

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 14 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) -0.59 1.8 -6.51 3 3 0 55 190.246 1
Mid Mid (pH 6-8) -0.59 1.78 -5.01 3 3 0 55 190.246 1
Mid Mid (pH 6-8) -0.59 2.11 -44.34 4 3 1 57 191.254 1

Activity (Go SEA)

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