| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | No |
Popular Name: 3-[(5-chloro-2-thienyl)methyl-methyl-amino]-5,6-dimethyl-pyridazine-4-carboxamidine 3-[(5-chloro-2-thienyl)methyl-me…
| 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) | 1.86 | 5.36 | -9.82 | 3 | 5 | 0 | 79 | 309.826 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 5.57 | -45.25 | 4 | 5 | 1 | 81 | 310.834 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 5.48 | -30.81 | 4 | 5 | 1 | 80 | 310.834 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 5.68 | -97.11 | 5 | 5 | 2 | 82 | 311.842 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
