| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2010 | 21 | Yes |
Popular Name: [1-isopropyl-4-[(3S)-3-propoxy-1-piperidyl]-4-piperidyl]methanamine [1-isopropyl-4-[(3S)-3-propoxy-1…
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 1.56 | 5.18 | -107.79 | 4 | 4 | 2 | 45 | 299.503 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 6.57 | -94.74 | 4 | 4 | 2 | 44 | 299.503 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.42 | -34.03 | 3 | 4 | 1 | 43 | 298.495 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.53 | -29.71 | 3 | 4 | 1 | 43 | 298.495 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 7.05 | -220.64 | 5 | 4 | 3 | 46 | 300.511 | 6 | ↓ |
