| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 26th, 2006 | 27 | No |
Popular Name: N-(5-chloro-2-methyl-phenyl)-2-cyano-3-(3-methyl-4-pyrrolidin-1-yl-phenyl)-prop-2-enamide N-(5-chloro-2-methyl-phenyl)-2-c…
| 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) | 5.13 | 12.63 | -8.37 | 1 | 4 | 0 | 56 | 379.891 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.31 | 11.19 | -40.19 | 0 | 4 | -1 | 62 | 378.883 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.13 | 12.59 | -33.22 | 2 | 4 | 1 | 57 | 380.899 | 4 | ↓ |
