UCSF

ZINC62969865

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: (2S)-2-[[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(3R)-3-(1-piperidyl)pyr…

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Download: MOL2 SDF SMILES Flexibase

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) 1.85 7 -35.45 1 3 1 25 251.394 3 ↓
Hi High (pH 8-9.5) 1.85 4.62 -3.77 0 3 0 24 250.386 3 ↓
Lo Low (pH 4.5-6) 1.85 9.33 -113.77 2 3 2 26 252.402 3 ↓

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

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