In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 32 | No |
Popular Name: (2S)-3-(4-butoxybenzoyl)-4-hydroxy-1-(2-hydroxyethyl)-2-(4-nitrophenyl)-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) | 3.20 | 7.74 | -54.97 | 1 | 9 | -1 | 136 | 439.444 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.20 | 6.98 | -15.95 | 2 | 9 | 0 | 133 | 440.452 | 10 | ↓ |