| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 20 | No |
Popular Name: (E)-3-[5-(4-bromophenyl)-1-methyl-pyrrol-2-yl]-2-cyano-prop-2-enimidothioic (E)-3-[5-(4-bromophenyl)-1-methy…
| 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) | 2.83 | 8.28 | -10.3 | 2 | 3 | 0 | 55 | 346.253 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 8.46 | -38.15 | 1 | 3 | -1 | 53 | 345.245 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 8.42 | -38.96 | 1 | 3 | -1 | 53 | 345.245 | 3 | ↓ |
