| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: (2S)-1-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]-3-(propylamino)propan-2-ol (2S)-1-[methyl-[[(2S)-tetrahydro…
| 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) | 0.89 | 1.4 | -39.23 | 3 | 4 | 1 | 49 | 245.387 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 0.04 | -3.78 | 2 | 4 | 0 | 45 | 244.379 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 4.33 | -42.66 | 3 | 4 | 1 | 53 | 245.387 | 8 | ↓ |
