| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 20 | Yes |
680993-85-5; D04055; Esmirtazapine maleate (USAN)
| 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) | 2.72 | 9.12 | -38.52 | 1 | 3 | 1 | 21 | 266.368 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 6.69 | -7.19 | 0 | 3 | 0 | 19 | 265.36 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0127516A1; EP0138449A2; EP0138449B1; EP0218391A1; EP0431663A1; EP0431663B1; EP0436252A1; EP0436252B1; EP0652483B1; EP0919234A2; EP0950871A2; EP0956074A1; EP1021204A2; US3964595; US4060054; US4118256; US4199981; US4499034; US4710606; US4719614; US4884746 | IBM Patent Data |
