UCSF

ZINC37191493

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 Yes

Popular Name: 6-[2-(2-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine 6-[2-(2-fluorophenyl)sulfanyleth…

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) 3.46 6.96 -8.61 2 2 0 39 280.393 5 ↓
Lo Low (pH 4.5-6) 3.46 7.37 -31.51 3 2 1 40 281.401 5 ↓

Activity (Go SEA)

Rings

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

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