UCSF

ZINC62965063

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 Yes

Popular Name: (3S)-N,N-dimethyl-1-[(8R,9R)-8-(methylamino)-1,4-dioxaspiro[4.5]decan-9-yl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[(8R,9R)-8-(…

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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) 0.80 2.23 -32.38 2 5 1 38 284.424 3 ↓
Hi High (pH 8-9.5) 0.80 1.33 -36.22 2 5 1 42 284.424 3 ↓
Hi High (pH 8-9.5) 0.80 0.14 -2.84 1 5 0 37 283.416 3 ↓
Mid Mid (pH 6-8) 0.80 3.73 -87.38 3 5 2 43 285.432 3 ↓

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Rings

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

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