| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 30 | No |
Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2S)-3-(cyclopropanecarbonyl)…
| 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) | 2.79 | 11.28 | -118.69 | 0 | 9 | -2 | 146 | 406.35 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 8.97 | -79.33 | 1 | 9 | -1 | 144 | 407.358 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 10.28 | -71.97 | 0 | 9 | -1 | 140 | 407.358 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
