UCSF

ZINC49916895

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 23 No

Popular Name: 3-butyl-8-(6-methyl-2-pyridyl)-7-sulfanyl-2,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-5-one 3-butyl-8-(6-methyl-2-pyridyl)-7…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -2.15 7.81 -37.8 3 6 1 70 332.453 3 ↓
Mid Mid (pH 6-8) 1.58 6.67 -40.43 3 6 1 67 332.453 4 ↓

Activity (Go SEA)

Rings

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

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