In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 25 | Yes |
Popular Name: 6-dimethylamino-N-(4-pyridyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide 6-dimethylamino-N-(4-pyridyl)-6,…
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) | 2.41 | 8.05 | -45.41 | 3 | 5 | 1 | 62 | 335.431 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.41 | 8.33 | -80.18 | 4 | 5 | 2 | 63 | 336.439 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0882726A1; WO1998055115A1 | IBM Patent Data |