| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 21 | Yes |
Popular Name: (3S)-N-(3-fluoro-4-hydroxy-phenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3S)-N-(3-fluoro-4-hydroxy-pheny…
| 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) | 2.15 | 2.55 | -13.27 | 3 | 4 | 0 | 61 | 286.306 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 3.31 | -52.65 | 2 | 4 | -1 | 64 | 285.298 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.15 | 3.92 | -48.33 | 4 | 4 | 1 | 66 | 287.314 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
