| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 14 | Yes |
Popular Name: (3S,4S)-N3-methyl-N3-[(1S)-1-methylbutyl]tetrahydropyran-3,4-diamine (3S,4S)-N3-methyl-N3-[(1S)-1-met…
| 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) | 1.08 | 1.55 | -42.27 | 3 | 3 | 1 | 40 | 201.334 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 1.21 | -1.52 | 2 | 3 | 0 | 38 | 200.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 3.25 | -115.3 | 4 | 3 | 2 | 41 | 202.342 | 4 | ↓ |
