| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 27 | Yes |
Popular Name: (2S)-2-amino-N-[3-[(1S)-1-(2-hydroxy-4-oxo-chromen-3-yl)propyl]phenyl]propanamide (2S)-2-amino-N-[3-[(1S)-1-(2-hyd…
| 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) | 2.45 | 6.92 | -72.06 | 4 | 6 | 0 | 110 | 366.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 6.59 | -47.67 | 3 | 6 | -1 | 108 | 365.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 6.32 | -53.87 | 5 | 6 | 1 | 107 | 367.425 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1994018188A1 | IBM Patent Data |
