UCSF

ZINC42452557

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) -0.71 1.72 -89.02 5 5 2 73 247.383 10
Hi High (pH 8-9.5) -0.71 -0.84 -46.81 4 5 1 71 246.375 10

Activity (Go SEA)

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