| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 15 | Yes |
Popular Name: (1S)-N-isobutyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (1S)-N-isobutyl-N-methyl-1-(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) | 0.23 | 2.45 | -46.02 | 3 | 4 | 1 | 49 | 211.333 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | 1.73 | -4.51 | 2 | 4 | 0 | 47 | 210.325 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.23 | 4.12 | -116.94 | 4 | 4 | 2 | 50 | 212.341 | 5 | ↓ |
