| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (3S,4R)-N3,N4-dimethyl-N3-[(1-methylpyrazol-4-yl)methyl]heptane-3,4-diamine (3S,4R)-N3,N4-dimethyl-N3-[(1-me…
| 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) | 2.19 | 6.94 | -114.78 | 3 | 4 | 2 | 39 | 254.422 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 5.58 | -36.34 | 2 | 4 | 1 | 34 | 253.414 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 5.05 | -40.14 | 2 | 4 | 1 | 38 | 253.414 | 8 | ↓ |
