UCSF

ZINC42607150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 21 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) 0.58 4.55 -40.29 3 4 1 49 295.447 9
Hi High (pH 8-9.5) 0.58 3.41 -4.77 2 4 0 48 294.439 9
Lo Low (pH 4.5-6) 0.58 6.45 -121.1 4 4 2 51 296.455 9

Activity (Go SEA)

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