UCSF

ZINC37718695

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 20 No

Popular Name: 3-[2-(3-pyridyl)ethyl]-2-sulfanyl-4(3H)-quinazolinone 3-[2-(3-pyridyl)ethyl]-2-sulfany…

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) 1.61 8.19 -11.69 1 4 0 51 283.356 3 ↓
Mid Mid (pH 6-8) 2.33 7.88 -39.3 0 4 -1 48 282.348 3 ↓
Lo Low (pH 4.5-6) 1.61 8.65 -35.73 2 4 1 52 284.364 3 ↓

Activity (Go SEA)

Rings

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

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