| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 25 | No |
Popular Name: 1-[(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]piperidine-4-carboxylic 1-[(3E)-2-oxo-3-(1,3,3-trimethyl…
| 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) | 2.85 | 12.09 | -60.14 | 1 | 5 | 0 | 65 | 342.439 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 9.97 | -53.62 | 0 | 5 | -1 | 64 | 341.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 10.01 | -55.42 | 0 | 5 | -1 | 64 | 341.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
