| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1,N2-dimethyl-N2-[(1-methylpyrazol-4-yl)methyl]cyclooctane-1,2-diamine (1S,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) | 2.30 | 7.61 | -116.55 | 3 | 4 | 2 | 39 | 266.433 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 5.2 | -4.32 | 1 | 4 | 0 | 33 | 264.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 7.31 | -35.26 | 2 | 4 | 1 | 34 | 265.425 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 5.88 | -35.49 | 2 | 4 | 1 | 38 | 265.425 | 4 | ↓ |
