| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 19 | Yes |
Popular Name: (2S)-N,N-diethyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (2S)-N,N-diethyl-1-[(1-methylimi…
| 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) | 0.40 | 6.18 | -30.71 | 1 | 5 | 1 | 43 | 265.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 5.78 | -10.8 | 0 | 5 | 0 | 41 | 264.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 8.32 | -96.1 | 2 | 5 | 2 | 44 | 266.389 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.40 | 7.88 | -32.24 | 1 | 5 | 1 | 43 | 265.381 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
