| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-1-[(3S)-3-methyl-1-piperidyl]-1-(3-methyl-2-thienyl)butan-2-amine (1S,2S)-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) | 3.09 | 5.85 | -38.2 | 3 | 2 | 1 | 31 | 267.462 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 5.54 | -1.27 | 2 | 2 | 0 | 29 | 266.454 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 7.83 | -29.99 | 3 | 2 | 1 | 30 | 267.462 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 8.14 | -109.18 | 4 | 2 | 2 | 32 | 268.47 | 4 | ↓ |
