UCSF

ZINC21953694

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) 3.39 7.07 -38.76 2 2 1 20 235.395 7
Hi High (pH 8-9.5) 3.39 5.83 -2.03 1 2 0 15 234.387 7
Mid Mid (pH 6-8) 3.39 8.35 -35.32 2 2 1 16 235.395 7
Mid Mid (pH 6-8) 3.39 9.38 -112.34 3 2 2 21 236.403 7

Activity (Go SEA)

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