| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 24 | Yes |
Popular Name: 5-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1-(4-methoxyphenyl)-3-phenyl-1,2,4-triazole 5-[(2S)-2,5-dihydro-1H-pyrrol-2-…
| 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) | 3.13 | 7.27 | -11.62 | 1 | 5 | 0 | 52 | 318.38 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 8.79 | -42.8 | 2 | 5 | 1 | 57 | 319.388 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
