UCSF

ZINC62968124

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (7R,8S)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol (7R,8S)-7-[(3S)-3-(dimethylamino…

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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) 0.38 1.43 -31 2 5 1 46 271.381 2 ↓
Hi High (pH 8-9.5) 0.38 -0.9 -5.82 1 5 0 45 270.373 2 ↓
Mid Mid (pH 6-8) 0.38 1.48 -35.95 2 5 1 46 271.381 2 ↓
Lo Low (pH 4.5-6) 0.38 3.82 -100.9 3 5 2 48 272.389 2 ↓

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

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