| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 26 | No |
Popular Name: 1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-pyridyl)-4-(2-thienylcarbonyl)-5H-pyrrol-2-one 1-(3-dimethylaminopropyl)-3-hydr…
| 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) | 1.29 | -0.57 | -51.62 | 2 | 6 | 1 | 74 | 372.47 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | -0.74 | -59.3 | 1 | 6 | 1 | 71 | 372.47 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.73 | -0.86 | -114.21 | 3 | 6 | 2 | 76 | 373.478 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | -0.63 | -112.01 | 2 | 6 | 2 | 73 | 373.478 | 7 | ↓ |
