| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 21 | Yes |
Popular Name: (2S,4S)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethyl-pyrrolidine-2-carboxamide (2S,4S)-4-[4-(diethylaminomethyl…
| 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) | 0.02 | 3.61 | -97.48 | 4 | 7 | 2 | 81 | 296.419 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 2.42 | -39.59 | 3 | 7 | 1 | 76 | 295.411 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 0.06 | -13.66 | 2 | 7 | 0 | 75 | 294.403 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
