| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 15 | Yes |
Popular Name: (3S)-N1,N3-dimethyl-N1-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine (3S)-N1,N3-dimethyl-N1-[(1-methy…
| 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) | 0.50 | 3.06 | -41.55 | 2 | 4 | 1 | 38 | 211.333 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 4.11 | -40.2 | 2 | 4 | 1 | 34 | 211.333 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 5.39 | -110.08 | 3 | 4 | 2 | 39 | 212.341 | 6 | ↓ |
