UCSF

ZINC19785043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 1.96 5.26 -38.12 2 3 1 28 249.378 4
Mid Mid (pH 6-8) 1.96 2.79 -3.91 1 3 0 27 248.37 4

Activity (Go SEA)

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