| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 16 | Yes |
Popular Name: (2S)-N',N',3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine (2S)-N',N',3-trimethyl-N-[(1-met…
| 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) | 1.01 | 5.18 | -37.18 | 2 | 4 | 1 | 34 | 225.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 4.51 | -42.17 | 2 | 4 | 1 | 38 | 225.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 6.49 | -116.44 | 3 | 4 | 2 | 39 | 226.368 | 6 | ↓ |
