UCSF

ZINC11820247

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 28 Yes

Popular Name: (3S)-N-isopropyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxam (3S)-N-isopropyl-N-[(1-methylimi…

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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) 0.66 0.47 -15.8 0 7 0 71 383.496 7 ↓
Mid Mid (pH 6-8) 0.66 0.63 -43.97 1 7 1 73 384.504 7 ↓
Lo Low (pH 4.5-6) 0.66 0.61 -39.92 1 7 1 73 384.504 7 ↓
Lo Low (pH 4.5-6) 0.66 0.76 -76.91 2 7 2 74 385.512 7 ↓

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Rings

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