UCSF

ZINC26513202

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) -0.12 3.09 -50.59 3 5 1 74 229.3 4
Mid Mid (pH 6-8) -0.12 2.76 -12.17 2 5 0 73 228.292 4

Activity (Go SEA)

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