In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 29 | No |
Popular Name: (5S)-1-(2-dimethylaminoethyl)-5-(2-furyl)-3-hydroxy-4-(3-propoxybenzoyl)-5H-pyrrol-2-one (5S)-1-(2-dimethylaminoethyl)-5-…
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) | 2.58 | 8.64 | -74.23 | 1 | 7 | 0 | 87 | 398.459 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 6.11 | -60.72 | 0 | 7 | -1 | 86 | 397.451 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 7.82 | -52.15 | 2 | 7 | 1 | 84 | 399.467 | 9 | ↓ |