UCSF

ZINC70195050

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 1-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[[(3S)-1,4-dioxaspiro[4.4]nona…

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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 6.71 -5.98 2 4 0 48 288.391 2 ↓
Mid Mid (pH 6-8) 2.88 7.17 -31.29 3 4 1 49 289.399 2 ↓

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Rings

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

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