| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 25 | No |
Popular Name: (2S)-3-acetyl-N-(3-fluoro-4-pyrazol-1-yl-phenyl)-2,4-dimethyl-2H-pyrrole-5-carboxamide (2S)-3-acetyl-N-(3-fluoro-4-pyra…
| 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) | 1.82 | 5.59 | -13.08 | 1 | 6 | 0 | 76 | 340.358 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 4.27 | -45.68 | 0 | 6 | -1 | 83 | 339.35 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 6.52 | -49.68 | 2 | 6 | 1 | 78 | 341.366 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
