In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 16 | Yes |
Popular Name: 2-(3,4-Dimethoxyphenyl)cyclopropanecarboxylic acid 2-(3,4-Dimethoxyphenyl)cycloprop…
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CAS Number: N/A
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) | 1.41 | 5.25 | -50.44 | 0 | 4 | -1 | 59 | 221.232 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 4.12 | -12.35 | 1 | 4 | 0 | 56 | 222.24 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5066658 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.