| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: 1-(1-methylpyrrol-3-yl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanone 1-(1-methylpyrrol-3-yl)-2-[(3S)-…
| 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) | 1.12 | 6.36 | -8.48 | 0 | 3 | 0 | 25 | 238.356 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 8.28 | -34.74 | 1 | 3 | 1 | 26 | 239.364 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
