| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 27 | Yes |
Popular Name: (10S)-3-[(1R)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridine-2,10-diol (10S)-3-[(1R)-1-methyl-4-phenyl-…
| 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) | 5.03 | 8.07 | -8.45 | 3 | 3 | 0 | 52 | 363.501 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.03 | 8.47 | -44.24 | 4 | 3 | 1 | 57 | 364.509 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0009386A1; US4206225 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
