| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2010 | 20 | Yes |
Popular Name: 6-[(S)-(5-chloro-2-thienyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(5-chloro-2-thienyl)-(eth…
| 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) | 3.57 | 6.06 | -52.62 | 3 | 4 | 1 | 63 | 309.798 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.02 | 3.44 | -70.16 | 2 | 4 | 0 | 66 | 308.79 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.02 | 2.33 | -44.9 | 1 | 4 | -1 | 61 | 307.782 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 4.96 | -8.49 | 2 | 4 | 0 | 58 | 308.79 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
