UCSF

ZINC43253734

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) 1.83 1.91 -39.82 4 4 1 60 316.878 4
Hi High (pH 8-9.5) 1.83 4.58 -26.58 4 4 1 60 316.878 4
Hi High (pH 8-9.5) 1.83 2.99 -5.23 3 4 0 58 315.87 4
Lo Low (pH 4.5-6) 1.83 4.3 -111.74 5 4 2 61 317.886 4

Activity (Go SEA)

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