| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 21 | Yes |
Popular Name: (3R)-3-methyl-1-(4-methylphthalazin-1-yl)piperidine-3-carboxylic (3R)-3-methyl-1-(4-methylphthala…
| 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) | 2.44 | 9.51 | -47.84 | 1 | 5 | 0 | 70 | 285.347 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 9.36 | -54.87 | 0 | 5 | -1 | 69 | 284.339 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 9.48 | -56.91 | 1 | 5 | 0 | 70 | 285.347 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 9.62 | -102.26 | 2 | 5 | 1 | 72 | 286.355 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
