UCSF

ZINC40476573

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 20 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) 2.19 5.92 -45.05 2 4 1 44 286.277 6
Hi High (pH 8-9.5) 2.19 4.53 -8.61 1 4 0 39 285.269 6

Activity (Go SEA)

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