| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2011 | 24 | Yes |
Popular Name: (3S)-2-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (3S)-2-[[4-(methylcarbamoyl)phen…
| 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) | 1.61 | 3.06 | -16.96 | 3 | 5 | 0 | 75 | 323.396 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 5.23 | -50.69 | 4 | 5 | 1 | 77 | 324.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
