UCSF

ZINC62969808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 Yes

Popular Name: (2S)-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(3S)-3-pyrrolidin-1-ylp…

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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) 1.34 6.39 -35.39 1 3 1 25 237.367 3 ↓
Hi High (pH 8-9.5) 1.34 4.01 -4.48 0 3 0 24 236.359 3 ↓
Lo Low (pH 4.5-6) 1.34 8.7 -110.94 2 3 2 26 238.375 3 ↓

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

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