| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 21 | Yes |
Popular Name: (3S)-3-methyl-1-[4-(pyridazin-3-ylamino)-1-piperidyl]hexan-1-one (3S)-3-methyl-1-[4-(pyridazin-3-…
| 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) | 2.39 | 7.15 | -13.7 | 1 | 5 | 0 | 58 | 290.411 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 7.33 | -37.82 | 2 | 5 | 1 | 59 | 291.419 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 7.31 | -40.01 | 2 | 5 | 1 | 59 | 291.419 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
