UCSF

ZINC11821902

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 23 Yes

Popular Name: (3S)-1-(cyclobutylmethyl)-3-hydroxy-3-[(methyl-(3-pyridylmethyl)amino)methyl]piperidin-2-one (3S)-1-(cyclobutylmethyl)-3-hydr…

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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) 0.73 -1.64 -33.5 2 5 1 58 318.441 6 ↓
Lo Low (pH 4.5-6) 0.73 -1.53 -87.69 3 5 2 59 319.449 6 ↓

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