| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2008 | 27 | Yes |
Popular Name: 3-[(2S)-4-methyl-2-phenyl-piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione 3-[(2S)-4-methyl-2-phenyl-pipera…
| 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) | 1.24 | 5.61 | -21.67 | 1 | 6 | 0 | 73 | 365.433 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 4.58 | -42.51 | 0 | 6 | -1 | 77 | 364.425 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 7.98 | -53.39 | 2 | 6 | 1 | 75 | 366.441 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
