| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: (3S)-3-methyl-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic (3S)-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) | 2.17 | 8.7 | -39.8 | 1 | 5 | 0 | 70 | 271.32 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 8.71 | -46.27 | 1 | 5 | 0 | 70 | 271.32 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 8.02 | -54.02 | 1 | 5 | 0 | 70 | 271.32 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 7.9 | -55.83 | 0 | 5 | -1 | 69 | 270.312 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 8.82 | -81.76 | 2 | 5 | 1 | 72 | 272.328 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
