| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 32 | Yes |
Popular Name: (2S)-2-(3,4-dimethoxyphenyl)-5-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-isopropyl-valeronitrile (2S)-2-(3,4-dimethoxyphenyl)-5-[…
| 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) | 3.29 | 10.75 | -60.34 | 1 | 7 | 1 | 80 | 440.564 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 8.5 | -16.9 | 0 | 7 | 0 | 79 | 439.556 | 9 | ↓ |
