UCSF

ZINC53931486

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 Yes

Popular Name: (2R,4R)-4-methyl-2-[[methyl-[(3R)-1-methyl-3-piperidyl]amino]methyl]cyclohexanone (2R,4R)-4-methyl-2-[[methyl-[(3R…

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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) 1.72 6.91 -36.57 1 3 1 25 253.41 3 ↓
Hi High (pH 8-9.5) 1.72 4.71 -4.8 0 3 0 24 252.402 3 ↓
Lo Low (pH 4.5-6) 1.72 9.15 -105.25 2 3 2 26 254.418 3 ↓

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

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