| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 24 | No |
Popular Name: (1R)-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (1R)-2-[2-(4-nitrophenyl)ethyl]-…
| 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 | 6.64 | -13.58 | 2 | 6 | 0 | 92 | 325.368 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 8.72 | -54.23 | 3 | 6 | 1 | 93 | 326.376 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
