UCSF

ZINC42588061

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.78 6.65 -44.47 2 3 1 37 275.825 5
Hi High (pH 8-9.5) 2.78 5.48 -9.94 1 3 0 32 274.817 5

Activity (Go SEA)

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