UCSF

ZINC42434892

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) -0.70 -0.27 -39.05 3 5 1 66 229.3 3
Mid Mid (pH 6-8) -0.70 -1.67 -9.28 2 5 0 62 228.292 3

Activity (Go SEA)

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