| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 17 | Yes |
Popular Name: (3S,4S)-N3-(1-ethylpropyl)-N3-methyl-N4-propyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-(1-ethylpropyl)-N3-me…
| 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) | 2.84 | 6.71 | -108.77 | 3 | 3 | 2 | 30 | 244.423 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 3.75 | -0.75 | 1 | 3 | 0 | 24 | 242.407 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 5.18 | -33.95 | 2 | 3 | 1 | 29 | 243.415 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 5.74 | -27.59 | 2 | 3 | 1 | 26 | 243.415 | 7 | ↓ |
