UCSF

ZINC62980225

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 Yes

Popular Name: (3R)-3-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]piperidine (3R)-3-[[(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) 1.10 5.67 -80.66 3 3 2 24 239.407 3 ↓
Hi High (pH 8-9.5) 1.10 3.3 -37.53 2 3 1 23 238.399 3 ↓
Lo Low (pH 4.5-6) 1.10 7.88 -183.35 4 3 3 25 240.415 3 ↓

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