UCSF

ZINC42618516

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 15 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) -0.68 1.39 -42.64 2 5 1 46 216.305 5
Hi High (pH 8-9.5) -0.68 -0.98 -11.32 1 5 0 45 215.297 5

Activity (Go SEA)

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