| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: (1S,6S)-6-[(3S)-3-(diethylamino)pyrrolidine-1-carbonyl]cyclohex-3-ene-1-carboxylic (1S,6S)-6-[(3S)-3-(diethylamino)…
| 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) | 1.47 | 9.2 | -67.08 | 1 | 5 | 0 | 65 | 294.395 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 6.97 | -55.75 | 0 | 5 | -1 | 64 | 293.387 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 7.08 | -40.73 | 2 | 5 | 1 | 62 | 295.403 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
