| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 21 | Yes |
Popular Name: (2S,4S)-4-amino-N,N-diethyl-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide (2S,4S)-4-amino-N,N-diethyl-1-[2…
| 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) | -2.10 | 4.84 | -78.99 | 3 | 8 | 1 | 99 | 295.367 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.10 | 4.55 | -22.98 | 2 | 8 | 0 | 97 | 294.359 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
