| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | Yes |
Popular Name: (3S,4S)-N3-methyl-N3-[(1-methylpyrazol-4-yl)methyl]-N4-propyl-heptane-3,4-diamine (3S,4S)-N3-methyl-N3-[(1-methylp…
| 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) | 3.07 | 8.82 | -111.69 | 3 | 4 | 2 | 39 | 282.476 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 8.52 | -37.61 | 2 | 4 | 1 | 34 | 281.468 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 6.33 | -41.57 | 2 | 4 | 1 | 38 | 281.468 | 10 | ↓ |
