UCSF

ZINC26513141

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 0.53 1.87 -44.25 3 4 1 49 228.36 3
Hi High (pH 8-9.5) 0.53 3.64 -109.95 4 4 2 50 229.368 3
Mid Mid (pH 6-8) 0.53 2.24 -33.16 3 4 1 46 228.36 3

Activity (Go SEA)

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