| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2010 | 21 | Yes |
Popular Name: (2S)-2-[(4-methylcyclohexanecarbonyl)amino]-3-phenyl-propanoic (2S)-2-[(4-methylcyclohexanecarb…
| 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) | 1.06 | 9.19 | -57.58 | 1 | 4 | -1 | 69 | 288.367 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 8.33 | -31.86 | 2 | 4 | 0 | 74 | 289.375 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0196222A2; EP0196222B1; US4816484; USRE34878 | IBM Patent Data |
