UCSF

ZINC39379598

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 29 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) 2.68 5.44 -33.92 2 6 1 56 401.527 9
Mid Mid (pH 6-8) 2.68 5.27 -35.79 2 6 1 56 401.527 9
Mid Mid (pH 6-8) 2.68 3.14 -8.49 1 6 0 54 400.519 9

Activity (Go SEA)

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