| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 26 | Yes |
Popular Name: (2S)-1-(4-chloro-2-methyl-phenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol (2S)-1-(4-chloro-2-methyl-phenox…
| 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) | 3.93 | 8.75 | -49.37 | 2 | 4 | 1 | 37 | 375.92 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 6.43 | -7.56 | 1 | 4 | 0 | 36 | 374.912 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0269383A2; US4882330 | IBM Patent Data |
