| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (3S,4R)-N4-ethyl-N3-methyl-N3-[[(2S)-tetrahydropyran-2-yl]methyl]heptane-3,4-diamine (3S,4R)-N4-ethyl-N3-methyl-N3-[[…
| 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) | 3.67 | 8.55 | -104.36 | 3 | 3 | 2 | 30 | 272.477 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 7.7 | -29.84 | 2 | 3 | 1 | 26 | 271.469 | 9 | ↓ |
