UCSF

ZINC44720709

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 No

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) -0.67 -0.1 -46.95 3 5 1 72 201.246 5
Hi High (pH 8-9.5) -0.67 -1.17 -10.88 2 5 0 67 200.238 5
Mid Mid (pH 6-8) -0.48 -2.63 -40.35 2 5 0 78 200.238 5
Mid Mid (pH 6-8) -0.48 -2.58 -37.43 2 5 0 78 200.238 5

Activity (Go SEA)

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