| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | Yes |
Popular Name: N-[(1S)-1-(2,4-dichloro-5-fluoro-phenyl)ethyl]-3-morpholino-propan-1-amine N-[(1S)-1-(2,4-dichloro-5-fluoro…
| 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) | 3.58 | 6.13 | -47.39 | 2 | 3 | 1 | 29 | 336.258 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 5 | -3.31 | 1 | 3 | 0 | 24 | 335.25 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 7.27 | -38.26 | 2 | 3 | 1 | 26 | 336.258 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 8.4 | -117.89 | 3 | 3 | 2 | 30 | 337.266 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
