| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 18 | Yes |
Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1S)-1-(2-thienyl)ethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1S)-…
| 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) | 4.25 | 8.27 | -3.87 | 1 | 1 | 0 | 12 | 263.381 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.25 | 9.28 | -38.2 | 2 | 1 | 1 | 17 | 264.389 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
