UCSF

ZINC53931512

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

Popular Name: (2R,4S)-4-tert-butyl-2-[[methyl-[(3R)-1-methyl-3-piperidyl]amino]methyl]cyclohexanone (2R,4S)-4-tert-butyl-2-[[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) 3.05 9.1 -33.37 1 3 1 25 295.491 4 ↓
Hi High (pH 8-9.5) 3.05 6.56 -4.9 0 3 0 24 294.483 4 ↓
Lo Low (pH 4.5-6) 3.05 10.95 -100.66 2 3 2 26 296.499 4 ↓

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Rings

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

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