| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (3R,4S)-N3-(2-dimethylaminoethyl)-N3-isobutyl-N4-methyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-(2-dimethylaminoethyl…
| 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) | 1.37 | 4 | -111.52 | 3 | 4 | 2 | 34 | 259.438 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 3.79 | -37.86 | 2 | 4 | 1 | 29 | 258.43 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 1.31 | -1.38 | 1 | 4 | 0 | 28 | 257.422 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 2.74 | -31.65 | 2 | 4 | 1 | 29 | 258.43 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 5.07 | -102.11 | 3 | 4 | 2 | 34 | 259.438 | 7 | ↓ |
