In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 28 | No |
Popular Name: (5S)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methylbenzoyl)-5-(p-tolyl)-5H-pyrrol-2-one (5S)-1-(2-dimethylaminoethyl)-3-…
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) | 3.31 | 10.75 | -71.19 | 1 | 5 | 0 | 65 | 378.472 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.31 | 8.21 | -61.03 | 0 | 5 | -1 | 64 | 377.464 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.31 | 9.93 | -48.17 | 2 | 5 | 1 | 62 | 379.48 | 6 | ↓ |