UCSF

ZINC62968262

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Substance Information

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

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

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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) 1.13 4.91 -102.32 3 5 2 48 300.443 4 ↓
Hi High (pH 8-9.5) 1.13 2.78 -31.08 2 5 1 46 299.435 4 ↓
Mid Mid (pH 6-8) 1.13 2.54 -35.32 2 5 1 46 299.435 4 ↓

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

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