| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2011 | 25 | Yes |
Popular Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]ethanone 1-(3,4-dihydro-1H-isoquinolin-2-…
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| 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) | 2.81 | 10.07 | -10.37 | 0 | 3 | 0 | 24 | 336.41 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 12.16 | -48.08 | 1 | 3 | 1 | 25 | 337.418 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
