| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-1-(3-methoxyphenyl)cyclopropane-1,2-dicarboxylic (1S,2S)-1-(3-methoxyphenyl)cyclo…
| 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) | 1.11 | 6.72 | -116.16 | 0 | 5 | -2 | 89 | 234.207 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 4.88 | -48.94 | 1 | 5 | -1 | 87 | 235.215 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 4.98 | -48.04 | 1 | 5 | -1 | 87 | 235.215 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4131611; US4196120; US4231935; US4435419 | IBM Patent Data |
