UCSF

ZINC22926516

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 1.27 10.41 -98.33 2 4 2 25 290.455 4
Hi High (pH 8-9.5) 1.27 5.39 -3.53 0 4 0 23 288.439 4
Mid Mid (pH 6-8) 1.27 5.39 -35.1 1 4 1 24 289.447 4
Mid Mid (pH 6-8) 1.27 8.3 -116.75 2 4 2 25 290.455 4
Mid Mid (pH 6-8) 1.27 8.07 -34.61 1 4 1 24 289.447 4

Activity (Go SEA)

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