| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 21 | Yes |
Popular Name: (3S)-3-ethyl-1-phthalazin-1-yl-piperidine-3-carboxylic (3S)-3-ethyl-1-phthalazin-1-yl-p…
| 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) | 2.14 | 9.51 | -48.43 | 1 | 5 | 0 | 70 | 285.347 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 9.37 | -52.75 | 0 | 5 | -1 | 69 | 284.339 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 9.52 | -60.22 | 1 | 5 | 0 | 70 | 285.347 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
