| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexanecarboxylic (1S,2R)-2-[(3S)-3-(dimethylamino…
| 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) | 1.21 | 7.36 | -85.16 | 1 | 5 | 0 | 65 | 268.357 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 4.97 | -58.9 | 0 | 5 | -1 | 64 | 267.349 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.21 | 6.05 | -50.11 | 2 | 5 | 1 | 62 | 269.365 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
