| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (3R,4S)-N3-butyl-N3-[(1S)-1-methylpropyl]-N4-propyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-butyl-N3-[(1S)-1-meth…
| 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) | 3.74 | 7.99 | -107.59 | 3 | 3 | 2 | 30 | 272.477 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 5.99 | -34.86 | 2 | 3 | 1 | 29 | 271.469 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 4.81 | -0.59 | 1 | 3 | 0 | 24 | 270.461 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 6.81 | -29.82 | 2 | 3 | 1 | 26 | 271.469 | 9 | ↓ |
