In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2006 | 28 | Yes |
Popular Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-[4-(2-oxopyrrolidin-1-yl)pheny…
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) | 2.59 | 8.89 | -16.93 | 2 | 7 | 0 | 91 | 393.472 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 8.69 | -52.83 | 1 | 7 | -1 | 89 | 392.464 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.