UCSF

ZINC61457463

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 21 Yes

Popular Name: (8R,9S)-N9-(cyclobutylmethyl)-N9-methyl-N8-propyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8R,9S)-N9-(cyclobutylmethyl)-N9…

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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) 2.57 7.61 -35.13 2 4 1 35 297.463 6 ↓
Hi High (pH 8-9.5) 2.57 5.72 -2.06 1 4 0 34 296.455 6 ↓
Hi High (pH 8-9.5) 2.57 6.47 -34.31 2 4 1 38 297.463 6 ↓
Mid Mid (pH 6-8) 2.57 8.42 -113.98 3 4 2 40 298.471 6 ↓

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Rings

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

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