| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-1-[(3S)-3-methyl-1-piperidyl]-1-(5-methyl-2-thienyl)propan-2-amine (1S,2R)-1-[(3S)-3-methyl-1-piper…
| 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) | 2.40 | 5 | -42.45 | 3 | 2 | 1 | 31 | 253.435 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 7.06 | -29.4 | 3 | 2 | 1 | 30 | 253.435 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 4.66 | -1.57 | 2 | 2 | 0 | 29 | 252.427 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 7.36 | -110.36 | 4 | 2 | 2 | 32 | 254.443 | 3 | ↓ |
