UCSF

ZINC25491356

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 10 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) -0.38 0.19 -10.45 6 5 0 104 139.162 0
Mid Mid (pH 6-8) -0.38 0.67 -30.88 7 5 1 105 140.17 0

Activity (Go SEA)

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