| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (3R,4S)-N3-[(1S)-1,3-dimethylbutyl]-N3-methyl-N4-propyl-tetrahydropyran-3,4-diamine (3R,4S)-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) | 3.08 | 7.05 | -112.98 | 3 | 3 | 2 | 30 | 258.45 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 5.56 | -0.78 | 1 | 3 | 0 | 24 | 256.434 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 5.14 | -34.7 | 2 | 3 | 1 | 29 | 257.442 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 7.32 | -30.24 | 2 | 3 | 1 | 26 | 257.442 | 7 | ↓ |
