| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 17 | Yes |
Popular Name: (3R,4R)-N3-[(1S)-1,3-dimethylbutyl]-N4-ethyl-N3-methyl-tetrahydropyran-3,4-diamine (3R,4R)-N3-[(1S)-1,3-dimethylbut…
| 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) | 2.58 | 6.56 | -108.6 | 3 | 3 | 2 | 30 | 244.423 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 3.74 | -0.65 | 1 | 3 | 0 | 24 | 242.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 4.9 | -32.95 | 2 | 3 | 1 | 29 | 243.415 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 5.39 | -31.71 | 2 | 3 | 1 | 26 | 243.415 | 6 | ↓ |
