| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | Yes |
Popular Name: (7S)-3-(pyrrolidine-1-carbonyl)-7-(2-thienyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (7S)-3-(pyrrolidine-1-carbonyl)-…
| 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) | 1.40 | 7.07 | -20.65 | 1 | 5 | 0 | 70 | 342.42 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 5.86 | -55.66 | 0 | 5 | -1 | 73 | 341.412 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
