| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | No |
Popular Name: [5,6-dimethyl-3-(1,4-thiazepan-4-yl)pyridazin-4-yl]methanamine [5,6-dimethyl-3-(1,4-thiazepan-4…
| 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) | 1.22 | 4.93 | -58.13 | 3 | 4 | 1 | 57 | 253.395 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 4.51 | -8.33 | 2 | 4 | 0 | 55 | 252.387 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 5.04 | -108.8 | 4 | 4 | 2 | 58 | 254.403 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
