UCSF

ZINC62964972

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

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

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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) 1.18 4.02 -33.67 2 5 1 38 298.451 4 ↓
Hi High (pH 8-9.5) 1.18 1.92 -2.73 1 5 0 37 297.443 4 ↓
Hi High (pH 8-9.5) 1.18 2.62 -34.06 2 5 1 42 298.451 4 ↓
Mid Mid (pH 6-8) 1.18 5.01 -85.72 3 5 2 43 299.459 4 ↓

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

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