In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 33 | No |
Popular Name: (5S)-4-(4-allyloxybenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-1-(2-…
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) | 3.79 | 9.8 | -58.95 | 0 | 7 | -1 | 92 | 444.463 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.24 | 8.65 | -27.93 | 1 | 7 | 0 | 89 | 445.471 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 9.67 | -18.87 | 0 | 7 | 0 | 86 | 445.471 | 9 | ↓ |