| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 21 | Yes |
Popular Name: 8-[[(2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one 8-[[(2R,3R,4S)-3,4-dihydroxy-2-(…
| 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) | -1.66 | -0.53 | -56.15 | 5 | 6 | 1 | 98 | 291.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.66 | -2.69 | -17.17 | 4 | 6 | 0 | 97 | 290.319 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
