In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2010 | 35 | No |
Popular Name: (2S)-3-(4-butoxybenzoyl)-4-hydroxy-1-(2-morpholinoethyl)-2-(p-tolyl)-2H-pyrrol-5-one (2S)-3-(4-butoxybenzoyl)-4-hydro…
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) | 4.20 | 9 | -59.06 | 0 | 7 | -1 | 82 | 477.581 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 11.26 | -67 | 1 | 7 | 0 | 83 | 478.589 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.20 | 10.52 | -47.39 | 2 | 7 | 1 | 81 | 479.597 | 10 | ↓ |