UCSF

ZINC54418979

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 15 Yes

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-methyl-ethane-1,2-diamine N-[[(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) 0.42 0.88 -43.3 3 4 1 49 215.317 4 ↓
Lo Low (pH 4.5-6) 0.42 3.23 -114.43 4 4 2 51 216.325 4 ↓

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Rings

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

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