UCSF

ZINC70196678

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3R)-1-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[[(3R)-1,4-dioxaspiro[4.4…

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) 2.17 5.89 -47.71 3 4 1 49 289.399 2 ↓
Hi High (pH 8-9.5) 2.17 5.57 -5.31 2 4 0 48 288.391 2 ↓

Activity (Go SEA)

Rings

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

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