UCSF

ZINC52503305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 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) 2.05 6.58 -113.98 3 3 2 24 245.455 10
Hi High (pH 8-9.5) 2.05 4.73 -37.77 2 3 1 23 244.447 10
Hi High (pH 8-9.5) 2.05 5.84 -32.9 2 3 1 20 244.447 10
Mid Mid (pH 6-8) 2.05 7.06 -88.55 3 3 2 24 245.455 10
Lo Low (pH 4.5-6) 2.05 8.94 -205.08 4 3 3 25 246.463 10

Activity (Go SEA)

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