| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 27 | No |
Popular Name: (3S)-3-[(3R,5S)-5-isopropyl-2-phenyl-1,2,4-triazolidin-3-yl]-6-methoxy-3H-quinolin-4-one (3S)-3-[(3R,5S)-5-isopropyl-2-ph…
| 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) | 2.84 | 7.31 | -36.84 | 4 | 6 | 1 | 74 | 365.457 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 5.83 | -13.07 | 3 | 6 | 0 | 69 | 364.449 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
