UCSF

ZINC59417330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 23 No

Popular Name: 5-hexyl-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-hexyl-5-[2-(4-pyridyl)ethyl]he…

Find On: PubMed — Wikipedia — Google

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) 2.97 4.48 -7.95 2 6 0 88 317.389 8 ↓
Hi High (pH 8-9.5) 2.82 1.92 -36.9 1 6 -1 94 316.381 8 ↓
Hi High (pH 8-9.5) 2.27 1.96 -37.24 1 6 -1 94 316.381 8 ↓
Lo Low (pH 4.5-6) 2.97 4.94 -37.84 3 6 1 89 318.397 8 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.