| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-methyl-N1-[(1R,2S)-2-methylcyclohexyl]-1-(1-methylpyrazol-4-yl)butane-1,2-diamine (1S,2R)-N1-methyl-N1-[(1R,2S)-2-…
| 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 | 6.5 | -111.84 | 4 | 4 | 2 | 50 | 280.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 4.99 | -4.52 | 2 | 4 | 0 | 47 | 278.444 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 6.19 | -33.69 | 3 | 4 | 1 | 48 | 279.452 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 5.27 | -43.41 | 3 | 4 | 1 | 49 | 279.452 | 5 | ↓ |
