| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 20 | Yes |
Popular Name: 1-[(3S)-3-(2-fluorophenyl)-4-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one 1-[(3S)-3-(2-fluorophenyl)-4-met…
| 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) | 2.96 | 6.52 | -11.68 | 0 | 3 | 0 | 24 | 278.371 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 8.47 | -48.76 | 1 | 3 | 1 | 25 | 279.379 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
