| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 22 | No |
Popular Name: (5S)-3-(2-hydroxyethyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-dione (5S)-3-(2-hydroxyethyl)-5-phenyl…
None
| 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) | 1.42 | 5.37 | -9.99 | 1 | 4 | 0 | 58 | 297.354 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 6.43 | -54.28 | 2 | 4 | 1 | 59 | 298.362 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 7.28 | -53.31 | 2 | 4 | 1 | 59 | 298.362 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4206210 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
