UCSF

ZINC39115236

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) -0.61 -2.78 -39.5 3 4 1 43 188.295 5
Mid Mid (pH 6-8) -0.61 -0.43 -85.18 4 4 2 45 189.303 5

Activity (Go SEA)

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