In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 20 | Yes |
Popular Name: (2S,4S)-2-[[methyl-[(3R)-1-methyl-3-piperidyl]amino]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[methyl-[(3R)-1-methy…
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) | 2.97 | 8.21 | -37.09 | 1 | 3 | 1 | 25 | 281.464 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 5.89 | -5.75 | 0 | 3 | 0 | 24 | 280.456 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.97 | 10.31 | -108.11 | 2 | 3 | 2 | 26 | 282.472 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.