| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 15 | Yes |
Popular Name: (3R)-N-methyl-N-[(2S,4S)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-N-methyl-N-[(2S,4S)-2-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) | 0.90 | 2.39 | -40.74 | 2 | 3 | 1 | 29 | 213.345 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 3.25 | -33.18 | 2 | 3 | 1 | 26 | 213.345 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 1.07 | -2.14 | 1 | 3 | 0 | 24 | 212.337 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 4.57 | -109.78 | 3 | 3 | 2 | 30 | 214.353 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
