UCSF

ZINC70195048

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 21 Yes

Popular Name: 1-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[[(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) 2.88 6.45 -5.74 2 4 0 48 288.391 2 ↓
Mid Mid (pH 6-8) 2.88 6.9 -30.97 3 4 1 49 289.399 2 ↓

Activity (Go SEA)

Rings

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

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