| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (3S,4S)-N3-butyl-N3-[(1S)-1-methylpropyl]-N4-propyl-tetrahydropyran-3,4-diamine (3S,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 | 8.36 | -104.84 | 3 | 3 | 2 | 30 | 272.477 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 7.05 | -32.48 | 2 | 3 | 1 | 29 | 271.469 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 6.19 | -0.46 | 1 | 3 | 0 | 24 | 270.461 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 7.26 | -29.9 | 2 | 3 | 1 | 26 | 271.469 | 9 | ↓ |
