UCSF

ZINC67540671

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 27 Yes

Popular Name: (2S)-1-(3,7-dimethyl-3,7,10-triazaspiro[5.5]undecan-10-yl)-2-(3-pyridyl)-2-pyrrolidin-1-yl-ethanone (2S)-1-(3,7-dimethyl-3,7,10-tria…

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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) 0.82 6.96 -41.19 1 6 1 44 372.537 3 ↓
Lo Low (pH 4.5-6) 0.82 8.07 -112.25 2 6 2 45 373.545 3 ↓
Lo Low (pH 4.5-6) 0.82 9.02 -79.24 2 6 2 45 373.545 3 ↓

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

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