In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 27 | Yes |
Popular Name: [(1R)-2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(3-carbamoyl-5,6-dihydr…
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) | 2.89 | 6.97 | -13.39 | 3 | 6 | 0 | 98 | 410.854 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.08 | 5.19 | -45.2 | 2 | 6 | -1 | 105 | 409.846 | 6 | ↓ |