UCSF

ZINC05942162

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 28 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) -0.87 8.28 -46.19 3 9 1 108 382.448 10
Mid Mid (pH 6-8) -0.87 7.77 -19.96 2 9 0 107 381.44 10
Mid Mid (pH 6-8) -0.87 8.79 -93.29 4 9 2 109 383.456 10

Activity (Go SEA)

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