| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 34 | No |
Popular Name: (5S)-5-(4-tert-butylphenyl)-2-keto-4-p-anisoyl-1-(4-pyridylmethyl)-3-pyrrolin-3-olate (5S)-5-(4-tert-butylphenyl)-2-ke…
| 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) | 4.25 | 11.4 | -59.22 | 0 | 6 | -1 | 83 | 455.534 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 0.93 | -20.02 | 0 | 6 | 0 | 76 | 456.542 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.25 | 1.21 | -51.09 | 2 | 6 | 1 | 80 | 457.55 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.67 | 1.05 | -59.65 | 1 | 6 | 1 | 77 | 457.55 | 7 | ↓ |
