| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2011 | 17 | Yes |
Popular Name: 2-[(3S,5aS,9aS)-3-amino-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]azepin-1-yl]acetic 2-[(3S,5aS,9aS)-3-amino-2-oxo-4,…
| 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) | -0.97 | 4.46 | -63.86 | 3 | 5 | 0 | 88 | 240.303 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | 3.64 | -58.6 | 2 | 5 | -1 | 86 | 239.295 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4410520; US4473575; US4575503 | IBM Patent Data |
