UCSF

ZINC52422110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 1.52 5.83 -85.51 3 3 2 24 229.412 7
Hi High (pH 8-9.5) 1.52 3.57 -35.94 2 3 1 23 228.404 7
Mid Mid (pH 6-8) 1.52 5.51 -103.21 3 3 2 24 229.412 7

Activity (Go SEA)

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