| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 32 | No |
Popular Name: (5R)-3-hydroxy-4-(3-propoxybenzoyl)-5-(3-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5R)-3-hydroxy-4-(3-propoxybenzo…
| 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) | 2.22 | 8.26 | -66.46 | 0 | 7 | -1 | 95 | 428.468 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 7.01 | -28.92 | 1 | 7 | 0 | 93 | 429.476 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 7.97 | -28.75 | 0 | 7 | 0 | 89 | 429.476 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 7.61 | -45.37 | 2 | 7 | 1 | 94 | 430.484 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 7.9 | -112.83 | 3 | 7 | 2 | 95 | 431.492 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 8.28 | -56.43 | 1 | 7 | 1 | 91 | 430.484 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 8.27 | -56.28 | 1 | 7 | 1 | 91 | 430.484 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 8.56 | -127.44 | 2 | 7 | 2 | 92 | 431.492 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 7.62 | -43.81 | 2 | 7 | 1 | 94 | 430.484 | 8 | ↓ |
