| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 14 | Yes |
Popular Name: (2S)-1-amino-3-(2-chloro-5-methyl-phenoxy)propan-2-ol (2S)-1-amino-3-(2-chloro-5-methy…
| 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) | 1.21 | 1.12 | -48.45 | 4 | 3 | 1 | 57 | 216.688 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 0.66 | -7.26 | 3 | 3 | 0 | 55 | 215.68 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0400519A1 | IBM Patent Data |
