| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 18 | Yes |
Popular Name: (3S,4S)-3-[(3R)-3-methyl-1-piperidyl]chroman-4-amine (3S,4S)-3-[(3R)-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) | 0.46 | 4.3 | -44.15 | 3 | 3 | 1 | 40 | 247.362 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 3.98 | -3.7 | 2 | 3 | 0 | 38 | 246.354 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 5.9 | -35.67 | 3 | 3 | 1 | 40 | 247.362 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 6.21 | -131.56 | 4 | 3 | 2 | 41 | 248.37 | 1 | ↓ |
