UCSF

ZINC45694276

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) -0.62 -0.17 -52.25 3 5 1 72 201.246 5
Hi High (pH 8-9.5) -0.62 -1.31 -10.27 2 5 0 67 200.238 5
Hi High (pH 8-9.5) -0.62 -1.29 -8.49 2 5 0 67 200.238 5
Mid Mid (pH 6-8) -0.44 -2.74 -44.66 2 5 0 78 200.238 5
Mid Mid (pH 6-8) -0.44 -2.73 -43.92 2 5 0 78 200.238 5

Activity (Go SEA)

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