| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 21 | Yes |
Popular Name: 5-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]-2,3-dihydrophthalazine-1,4-dione 5-[[(1S)-1-(3-methyl-2-thienyl)e…
| 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) | 3.13 | 2.02 | -47.46 | 2 | 5 | -1 | 81 | 300.363 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 1.29 | -11.01 | 3 | 5 | 0 | 78 | 301.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
