| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: [(2S,3S)-1-methyl-2-(p-tolyl)-3-piperidyl]methanamine [(2S,3S)-1-methyl-2-(p-tolyl)-3-…
| 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) | 1.95 | 4.84 | -41.54 | 3 | 2 | 1 | 31 | 219.352 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 6.19 | -31.33 | 3 | 2 | 1 | 30 | 219.352 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 6.53 | -104.88 | 4 | 2 | 2 | 32 | 220.36 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
