| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2006 | 27 | No |
Popular Name: 2-cyano-N-(3-methoxyphenyl)-3-(3-methyl-4-pyrrolidin-1-yl-phenyl)-prop-2-enamide 2-cyano-N-(3-methoxyphenyl)-3-(3…
| 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) | 4.10 | 10.5 | -9 | 1 | 5 | 0 | 65 | 361.445 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 9.05 | -43.57 | 0 | 5 | -1 | 72 | 360.437 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.10 | 10.46 | -35.5 | 2 | 5 | 1 | 67 | 362.453 | 5 | ↓ |
