| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: 4-(aminomethyl)-N-methyl-1-propyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-4-amine 4-(aminomethyl)-N-methyl-1-propy…
| 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) | 1.40 | 4.61 | -120.01 | 4 | 4 | 2 | 45 | 285.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 4.7 | -35.26 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 4.13 | -27.48 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 4.9 | -105.86 | 4 | 4 | 2 | 45 | 285.476 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
