| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: (3R,4S)-4-methyl-1-(2-pyridylmethyl)piperidin-3-amine (3R,4S)-4-methyl-1-(2-pyridylmet…
| 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) | 0.31 | 2.43 | -45.01 | 3 | 3 | 1 | 44 | 206.313 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 4.4 | -31.92 | 3 | 3 | 1 | 43 | 206.313 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.31 | 2.46 | -87.78 | 4 | 3 | 2 | 45 | 207.321 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.31 | 4.7 | -113.84 | 4 | 3 | 2 | 45 | 207.321 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
