| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 23 | Yes |
Popular Name: (2S)-1-methyl-4-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)piperazine-2-carboxylic (2S)-1-methyl-4-(2-oxo-5,6,7,8-t…
| 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) | -1.66 | 6.28 | -50.22 | 2 | 7 | 0 | 98 | 319.361 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.66 | 4.07 | -65.63 | 1 | 7 | -1 | 97 | 318.353 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
