UCSF

ZINC19406805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -0.48 1.97 -47.45 3 4 1 49 249.334 1
Hi High (pH 8-9.5) -0.48 1.65 -5.28 2 4 0 48 248.326 1
Lo Low (pH 4.5-6) -0.48 3.97 -135.07 4 4 2 51 250.342 1

Activity (Go SEA)

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