| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: 6-[(1R)-1-amino-3-phenyl-propyl]-3H-1,3-benzoxazol-2-one 6-[(1R)-1-amino-3-phenyl-propyl]…
| 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) | 0.96 | 5.37 | -66.23 | 4 | 4 | 1 | 74 | 269.324 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 2.75 | -87.28 | 3 | 4 | 0 | 77 | 268.316 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 5.02 | -10.23 | 3 | 4 | 0 | 72 | 268.316 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 2.44 | -48.16 | 2 | 4 | -1 | 75 | 267.308 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
