In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2012 | 23 | No |
Popular Name: N-[(1R)-1-(benzothiophen-3-yl)ethyl]-N'-(3-pyridyl)oxamide N-[(1R)-1-(benzothiophen-3-yl)et…
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) | 2.00 | 5.34 | -8.33 | 2 | 5 | 0 | 71 | 325.393 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 4.46 | -48.35 | 1 | 5 | -1 | 77 | 324.385 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.