| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 17 | Yes |
Popular Name: [1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methanol [1,3-dimethyl-5-(4-methyl-1,4-di…
| 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) | 0.26 | 2.46 | -45.56 | 2 | 5 | 1 | 46 | 239.343 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 0.01 | -7.86 | 1 | 5 | 0 | 45 | 238.335 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.26 | 2.57 | -82.11 | 3 | 5 | 2 | 47 | 240.351 | 2 | ↓ |
