UCSF

ZINC62877397

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 20 Yes

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

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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) 2.14 10.43 -104.35 2 4 1 49 283.436 5 ↓
Hi High (pH 8-9.5) 2.14 8.58 -67.44 1 4 0 48 282.428 5 ↓
Mid Mid (pH 6-8) 2.14 8.16 -48.64 1 4 0 48 282.428 5 ↓

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

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