UCSF

ZINC67934998

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 29 Yes

Popular Name: (2S,4S,5R)-4-(8-azaspiro[2.5]octane-8-carbonyl)-2-isobutyl-1-methyl-5-(3-pyridyl)pyrrolidine-2-carbo (2S,4S,5R)-4-(8-azaspiro[2.5]oct…

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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) 0.86 11.77 -56.31 1 6 0 78 399.535 5 ↓
Hi High (pH 8-9.5) 0.86 10.23 -73.44 0 6 -1 77 398.527 5 ↓

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

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