| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 19 | Yes |
Popular Name: (2S)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-1-(4-fluorophenyl)propan-2-amine (2S)-N-[(1S)-1-(5-chloro-2-thien…
| 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) | 5.05 | 8.9 | -3.78 | 1 | 1 | 0 | 12 | 297.826 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.05 | 9.91 | -41.69 | 2 | 1 | 1 | 17 | 298.834 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
