| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 33 | No |
Popular Name: (5S)-2-keto-5-(3-nitrophenyl)-4-p-anisoyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-2-keto-5-(3-nitrophenyl)-4-…
| 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) | 2.53 | 9.73 | -53.11 | 0 | 9 | -1 | 128 | 444.423 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 8.64 | -28.09 | 1 | 9 | 0 | 126 | 445.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 9.64 | -21.58 | 0 | 9 | 0 | 122 | 445.431 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 8.92 | -64.87 | 2 | 9 | 1 | 127 | 446.439 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 9.92 | -67.26 | 1 | 9 | 1 | 124 | 446.439 | 7 | ↓ |
