| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 21 | No |
Popular Name: (3S)-2-[(3S,4R)-4-hydroxy-1,1-dioxo-thiolan-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(3S,4R)-4-hydroxy-1,1-di…
| 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) | -1.88 | 3 | -41.34 | 2 | 6 | 0 | 99 | 311.359 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.88 | 1.09 | -57.28 | 1 | 6 | -1 | 98 | 310.351 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.88 | 3.54 | -47.55 | 1 | 6 | -1 | 102 | 310.351 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
