In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2008 | 33 | No |
Popular Name: (5R)-3-hydroxy-5-(3-nitrophenyl)-1-(o-tolyl)-4-[(E)-3-phenylprop-2-enoyl]-5H-pyrrol-2-one (5R)-3-hydroxy-5-(3-nitrophenyl)…
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) | 4.78 | 14.17 | -55.6 | 0 | 7 | -1 | 106 | 439.447 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.78 | 13.5 | -24.55 | 1 | 7 | 0 | 103 | 440.455 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 14.19 | -19.71 | 0 | 7 | 0 | 100 | 440.455 | 6 | ↓ |