UCSF

ZINC34990936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 0.47 5.05 -51.87 3 4 1 55 232.307 6
Hi High (pH 8-9.5) 0.47 3.71 -8.67 2 4 0 50 231.299 6
Mid Mid (pH 6-8) 0.47 5.57 -88.99 4 4 2 56 233.315 6

Activity (Go SEA)

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