| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | No |
Popular Name: (3S)-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(3R)-2,5-dioxopyrrolidin…
| 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) | -1.94 | 2.46 | -44.42 | 1 | 6 | -1 | 90 | 273.268 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.76 | -0.08 | -104.7 | 0 | 6 | -2 | 96 | 272.26 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.76 | 2.07 | -47.53 | 1 | 6 | -1 | 97 | 273.268 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
