UCSF

ZINC40605674

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) -0.50 2.51 -63.05 4 5 1 75 233.295 4
Hi High (pH 8-9.5) -0.50 2.12 -18.02 3 5 0 73 232.287 4
Mid Mid (pH 6-8) -0.50 2.94 -92.45 5 5 2 76 234.303 4

Activity (Go SEA)

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