| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 24 | Yes |
Popular Name: 3-[[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-ethoxy-1H-quinolin-2-one 3-[[(3S,4S)-3,4-bis(hydroxymethy…
| 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) | 0.64 | 1.43 | -38.13 | 4 | 6 | 1 | 87 | 333.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | -1.07 | -13.01 | 3 | 6 | 0 | 86 | 332.4 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
