| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 32 | No |
Popular Name: (5S)-3-hydroxy-4-(3-propoxybenzoyl)-5-(3-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-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 | 8.93 | -66.54 | 0 | 7 | -1 | 95 | 428.468 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 7.89 | -27.87 | 1 | 7 | 0 | 93 | 429.476 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 8.86 | -24.31 | 0 | 7 | 0 | 89 | 429.476 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 8.48 | -47.2 | 2 | 7 | 1 | 94 | 430.484 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 8.48 | -58.72 | 2 | 7 | 1 | 94 | 430.484 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 8.76 | -107.07 | 3 | 7 | 2 | 95 | 431.492 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 9.14 | -58.08 | 1 | 7 | 1 | 91 | 430.484 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 9.14 | -71.35 | 1 | 7 | 1 | 91 | 430.484 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 9.42 | -123.29 | 2 | 7 | 2 | 92 | 431.492 | 8 | ↓ |
