UCSF

ZINC42442515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.02 1.9 -99.91 4 5 2 60 250.383 12
Hi High (pH 8-9.5) -0.02 -1.71 -5.96 2 5 0 54 248.367 12
Mid Mid (pH 6-8) -0.02 -0.31 -40.39 3 5 1 59 249.375 12
Mid Mid (pH 6-8) -0.02 2.42 -38.44 3 5 1 63 249.375 12

Activity (Go SEA)

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