UCSF

ZINC37192004

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 5-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]pyridin-2-amine 5-[[(3R)-1,4-dioxaspiro[4.4]nona…

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) 2.40 5.05 -6.98 2 4 0 57 266.366 3 ↓
Lo Low (pH 4.5-6) 2.40 5.51 -33.61 3 4 1 59 267.374 3 ↓

Activity (Go SEA)

Rings

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

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