UCSF

ZINC42452849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.15 5.33 -180.16 6 5 3 75 226.348 7
Mid Mid (pH 6-8) -0.15 2.7 -42.31 4 5 1 73 224.332 7
Mid Mid (pH 6-8) -0.15 4.85 -116.33 5 5 2 74 225.34 7
Mid Mid (pH 6-8) -0.15 3.17 -77.56 5 5 2 74 225.34 7

Activity (Go SEA)

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