| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | No |
Popular Name: 5,6-dimethyl-3-(1,4-thiazepan-4-yl)pyridazine-4-carboxamidine 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) | 0.42 | 4.1 | -8.24 | 3 | 5 | 0 | 79 | 265.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 4.06 | -42.28 | 4 | 5 | 1 | 81 | 266.394 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.42 | 4.18 | -95.6 | 5 | 5 | 2 | 82 | 267.402 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.42 | 4.22 | -30.9 | 4 | 5 | 1 | 80 | 266.394 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
