| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 21 | Yes |
Popular Name: 6-[(1R)-2-(3-chlorophenyl)-1-(methylamino)ethyl]-3H-1,3-benzoxazol-2-one 6-[(1R)-2-(3-chlorophenyl)-1-(me…
| 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) | 3.35 | 6.8 | -58.47 | 3 | 4 | 1 | 63 | 303.769 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 3.1 | -48.08 | 1 | 4 | -1 | 61 | 301.753 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 4.17 | -77.22 | 2 | 4 | 0 | 66 | 302.761 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 5.71 | -10.72 | 2 | 4 | 0 | 58 | 302.761 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
