UCSF

ZINC42034021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 18 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) 3.39 8.72 -32.31 1 3 1 22 272.844 6
Hi High (pH 8-9.5) 3.39 7.52 -3.55 0 3 0 21 271.836 6

Activity (Go SEA)

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