In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2010 | 36 | No |
Popular Name: (2S)-3-(4-butoxybenzoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholinoethyl)-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) | 3.76 | 8.16 | -61.1 | 0 | 8 | -1 | 91 | 493.58 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.76 | 10.42 | -70.23 | 1 | 8 | 0 | 93 | 494.588 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.76 | 9.66 | -47.92 | 2 | 8 | 1 | 90 | 495.596 | 11 | ↓ |