| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: [(3S)-1-[(1R,2S)-2-amino-1-(5-methyl-2-thienyl)propyl]-3-piperidyl]methanol [(3S)-1-[(1R,2S)-2-amino-1-(5-me…
| 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) | 1.39 | 2.32 | -44.17 | 4 | 3 | 1 | 51 | 269.434 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 3.71 | -32.63 | 4 | 3 | 1 | 51 | 269.434 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 1.95 | -3.52 | 3 | 3 | 0 | 49 | 268.426 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 4.03 | -115.22 | 5 | 3 | 2 | 52 | 270.442 | 4 | ↓ |
