UCSF

ZINC53931515

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 16 Yes

Popular Name: (2S)-2-[[methyl-[(3R)-1-methyl-3-piperidyl]amino]methyl]cyclopentanone (2S)-2-[[methyl-[(3R)-1-methyl-3…

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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) 1.21 5.9 -36.95 1 3 1 25 225.356 3 ↓
Hi High (pH 8-9.5) 1.21 3.37 -4.41 0 3 0 24 224.348 3 ↓
Lo Low (pH 4.5-6) 1.21 8.06 -108.44 2 3 2 26 226.364 3 ↓

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

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