UCSF

ZINC42461801

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.19 2.37 -50.17 2 5 1 49 228.316 0
Mid Mid (pH 6-8) 0.19 1.06 -8.14 1 5 0 45 227.308 0

Activity (Go SEA)

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