UCSF

ZINC43253804

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.79 2.28 -46.72 5 4 1 74 316.878 5
Hi High (pH 8-9.5) 1.79 3.82 -35.95 5 4 1 74 316.878 5
Hi High (pH 8-9.5) 1.79 1.9 -8.48 4 4 0 72 315.87 5
Lo Low (pH 4.5-6) 1.79 4.24 -124.21 6 4 2 75 317.886 5

Activity (Go SEA)

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