| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 23 | Yes |
Popular Name: 6-[(2S)-2-hydroxy-3,4-dimethyl-5-oxo-2H-pyrrol-1-yl]-4-propyl-1,4-benzoxazin-3-one 6-[(2S)-2-hydroxy-3,4-dimethyl-5…
| 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) | 2.33 | 3.75 | -16.21 | 1 | 6 | 0 | 70 | 316.357 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 4.28 | -44.97 | 0 | 6 | -1 | 73 | 315.349 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4729784 | IBM Patent Data |
