UCSF

ZINC37190170

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 Yes

Popular Name: 4-(2-morpholinoethylsulfanyl)pyridin-3-amine 4-(2-morpholinoethylsulfanyl)pyr…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.59 1.06 -5.68 2 4 0 51 239.344 4 ↓
Mid Mid (pH 6-8) 0.59 3.33 -43.55 3 4 1 53 240.352 4 ↓
Lo Low (pH 4.5-6) 0.59 3.79 -88.67 4 4 2 54 241.36 4 ↓

Activity (Go SEA)

Rings

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

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