| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | Yes |
Popular Name: (3R,4S)-N3-(2-dimethylaminoethyl)-N3-isobutyl-N4-propyl-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) | 2.25 | 5.58 | -113.51 | 3 | 4 | 2 | 34 | 287.492 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 4.15 | -35.89 | 2 | 4 | 1 | 32 | 286.484 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 2.17 | -1.25 | 1 | 4 | 0 | 28 | 285.476 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 5.05 | -35.88 | 2 | 4 | 1 | 29 | 286.484 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 6.61 | -100.45 | 3 | 4 | 2 | 34 | 287.492 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 4.48 | -29.01 | 2 | 4 | 1 | 29 | 286.484 | 9 | ↓ |
