UCSF

ZINC67541047

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(3-pyridyl)-2-pyrrolidin-1-yl-ethanone (2R)-1-(1,4-dimethyl-1,4,9-triaz…

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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 6.08 -49.91 1 6 1 44 372.537 3 ↓
Hi High (pH 8-9.5) 0.82 4.17 -9.49 0 6 0 43 371.529 3 ↓
Lo Low (pH 4.5-6) 0.82 8.13 -94.26 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.