| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2010 | 17 | No |
Popular Name: 1-[(2S)-2,5-dimethyl-2H-pyrrol-4-yl]-2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanone 1-[(2S)-2,5-dimethyl-2H-pyrrol-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) | 0.53 | 3.63 | -9 | 1 | 5 | 0 | 71 | 250.327 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 3.44 | -41.42 | 0 | 5 | -1 | 69 | 249.319 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
