| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 32 | Yes |
Popular Name: (2S)-2-cyano-2-[3-(4-phenylpiperazino)quinoxalin-2-yl]acetic-acid-butyl-ester (2S)-2-cyano-2-[3-(4-phenylpiper…
| 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) | 4.20 | 10.9 | -11.37 | 0 | 7 | 0 | 82 | 429.524 | 8 | ↓ |
Popular Name: 2-ethylbutyl 2-ethylbutyl
| 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) | 4.89 | -0.18 | -11.01 | 0 | 7 | 0 | 82 | 457.578 | 9 | ↓ |
Popular Name: 2-ethylbutyl 2-ethylbutyl
| 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) | 4.89 | -0.27 | -11.21 | 0 | 7 | 0 | 82 | 457.578 | 9 | ↓ |
