| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (1R,2S)-N1,N2-dimethyl-N2-[(1-methylpyrazol-4-yl)methyl]cycloheptane-1,2-diamine (1R,2S)-N1,N2-dimethyl-N2-[(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) | 1.80 | 7.06 | -116.11 | 3 | 4 | 2 | 39 | 252.406 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 4.03 | -4.81 | 1 | 4 | 0 | 33 | 250.39 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 5.77 | -36.88 | 2 | 4 | 1 | 34 | 251.398 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 5.08 | -37.7 | 2 | 4 | 1 | 38 | 251.398 | 4 | ↓ |
