| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (3S,4S)-N3-methyl-N3-[(1R,2S)-2-methylcyclohexyl]-N4-propyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-methyl-N3-[(1R,2S)-2-…
| 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) | 3.24 | 7.47 | -113.97 | 3 | 3 | 2 | 30 | 270.461 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 4.77 | -0.86 | 1 | 3 | 0 | 24 | 268.445 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 6.29 | -34.69 | 2 | 3 | 1 | 29 | 269.453 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 7.91 | -29.25 | 2 | 3 | 1 | 26 | 269.453 | 5 | ↓ |
