UCSF

ZINC62878007

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Substance Information

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

Popular Name: (3S)-1-[2-[(2S)-1-methyl-2-piperidyl]ethyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[2-[(2S)-1-methyl-2-piper…

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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) 2.69 11.2 -104.87 2 4 1 49 297.463 6 ↓
Hi High (pH 8-9.5) 2.69 9.34 -68.24 1 4 0 48 296.455 6 ↓
Mid Mid (pH 6-8) 2.69 8.93 -48.84 1 4 0 48 296.455 6 ↓

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

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