| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2004 | 28 | No |
Popular Name: (5S)-1-[2-(2-hydroxyethylammonio)ethyl]-2-keto-4-p-anisoyl-5-(2-thienyl)-3-pyrrolin-3-olate (5S)-1-[2-(2-hydroxyethylammonio…
| 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) | 1.14 | 3.14 | -71.4 | 3 | 7 | 0 | 107 | 402.472 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 1.66 | -60.44 | 2 | 7 | -1 | 102 | 401.464 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | -5 | -45.61 | 4 | 7 | 1 | 103 | 403.48 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | -5.14 | -47.99 | 3 | 7 | 1 | 100 | 403.48 | 9 | ↓ |
