UCSF

ZINC59417335

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 31 No

Popular Name: 5,5-bis[2-(4-pyridyl)ethyl]-1-[[(2S)-tetrahydrofuran-2-yl]methyl]hexahydropyrimidine-2,4,6-trione 5,5-bis[2-(4-pyridyl)ethyl]-1-[[…

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) 1.89 7.28 -10.5 1 8 0 101 422.485 8 ↓
Mid Mid (pH 6-8) 1.19 4.68 -42.06 0 8 -1 108 421.477 8 ↓
Lo Low (pH 4.5-6) 1.89 8.19 -79.79 3 8 2 104 424.501 8 ↓
Lo Low (pH 4.5-6) 1.89 7.73 -39.62 2 8 1 103 423.493 8 ↓

Activity (Go SEA)

Rings

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

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