| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (3S,4S)-N3-isopropyl-N3-pentyl-N4-propyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-isopropyl-N3-pentyl-N…
| 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) | 3.71 | 8.25 | -110.73 | 3 | 3 | 2 | 30 | 272.477 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 5.89 | -0.52 | 1 | 3 | 0 | 24 | 270.461 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 6.61 | -34.3 | 2 | 3 | 1 | 29 | 271.469 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 7.34 | -31.28 | 2 | 3 | 1 | 26 | 271.469 | 9 | ↓ |
