| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 20 | Yes |
Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4,5-dichloro-1H-pyrrol-2-yl)methanone (5-amino-3,4-dihydro-1H-isoquino…
| 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) | 2.76 | 5.77 | -7.74 | 3 | 4 | 0 | 62 | 310.184 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 5.65 | -33.57 | 2 | 4 | -1 | 60 | 309.176 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
