UCSF

ZINC20126919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 2.92 3.6 -45.62 3 3 1 40 290.214 5
Hi High (pH 8-9.5) 2.92 4.16 -29.83 2 3 0 43 289.206 5
Mid Mid (pH 6-8) 2.92 4.77 -41.85 3 3 1 37 290.214 5
Mid Mid (pH 6-8) 2.92 6.05 -124.27 4 3 2 41 291.222 5

Activity (Go SEA)

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