| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2010 | 23 | No |
Popular Name: 7-(chloromethyl)-5,10-dihydroxy-2,3,8-trimethyl-pyrimido[4,5-g]quinazoline-4,9-dione 7-(chloromethyl)-5,10-dihydroxy-…
| 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) | 0.30 | 3.62 | -20.2 | 2 | 8 | 0 | 110 | 336.735 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 5.16 | -64.65 | 1 | 8 | -1 | 113 | 335.727 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 5.17 | -62.75 | 1 | 8 | -1 | 113 | 335.727 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 5.87 | -142.62 | 0 | 8 | -2 | 116 | 334.719 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5639881 | IBM Patent Data |
