UCSF

ZINC40438706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) -0.52 -1.87 -40.6 6 7 1 126 246.287 7
Hi High (pH 8-9.5) -0.52 -2.26 -10.81 5 7 0 125 245.279 7

Activity (Go SEA)

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