UCSF

ZINC20039493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 21 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) 2.90 7.25 -110.5 3 4 2 43 295.471 8
Hi High (pH 8-9.5) 2.90 3.83 -3.84 1 4 0 37 293.455 8
Mid Mid (pH 6-8) 2.90 6.22 -33.47 2 4 1 39 294.463 8
Mid Mid (pH 6-8) 2.90 6.61 -81.45 3 4 2 40 295.471 8

Activity (Go SEA)

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