In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 33 | No |
Popular Name: (5R)-4-(4-benzyloxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(2-thienyl)-5H-pyrrol-2-one (5R)-4-(4-benzyloxybenzoyl)-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) | 3.96 | 11.97 | -74.09 | 1 | 6 | 0 | 74 | 462.571 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.96 | 9.43 | -58.22 | 0 | 6 | -1 | 73 | 461.563 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.96 | 11.15 | -55.17 | 2 | 6 | 1 | 71 | 463.579 | 9 | ↓ |