| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2004 | 26 | No |
Popular Name: (5S)-1-(3-ammoniopropyl)-2-keto-4-p-anisoyl-5-(2-thienyl)-3-pyrrolin-3-olate (5S)-1-(3-ammoniopropyl)-2-keto-…
| 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) | 1.41 | 4.35 | -82.27 | 3 | 6 | 0 | 97 | 372.446 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | -3.92 | -51.92 | 4 | 6 | 1 | 94 | 373.454 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | -4.07 | -53.42 | 3 | 6 | 1 | 91 | 373.454 | 7 | ↓ |
