UCSF

ZINC62980245

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 18 Yes

Popular Name: 4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]piperidin-4-ol 4-[[(3S)-3-pyrrolidin-1-ylpyrrol…

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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) 0.16 5.3 -179.08 5 4 3 46 256.414 3 ↓
Mid Mid (pH 6-8) 0.16 2.92 -97.06 4 4 2 45 255.406 3 ↓
Mid Mid (pH 6-8) 0.16 3.23 -81.85 4 4 2 45 255.406 3 ↓

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

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