| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: 4-(aminomethyl)-N-[(5-chloro-2-thienyl)methyl]-N,5,6-trimethyl-pyridazin-3-amine 4-(aminomethyl)-N-[(5-chloro-2-t…
| 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) | 2.66 | 5.93 | -28.53 | 3 | 4 | 1 | 56 | 297.835 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 5.81 | -10.01 | 2 | 4 | 0 | 55 | 296.827 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 5.95 | -25.26 | 3 | 4 | 1 | 56 | 297.835 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 6.37 | -111.8 | 4 | 4 | 2 | 58 | 298.843 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.66 | 6.31 | -111.12 | 4 | 4 | 2 | 58 | 298.843 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
