| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 21 | Yes |
Popular Name: (1S)-2-(2-chloro-4-fluoro-phenyl)-1-(5-isoquinolyl)ethanamine (1S)-2-(2-chloro-4-fluoro-phenyl…
| 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) | 2.06 | 8.1 | -46.6 | 3 | 2 | 1 | 41 | 301.772 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 7.8 | -6.18 | 2 | 2 | 0 | 39 | 300.764 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 8.57 | -98.52 | 4 | 2 | 2 | 42 | 302.78 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
