| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 19 | Yes |
Popular Name: 5-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1R)-1-(3-methyl-2-thienyl)e…
| 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) | 3.24 | 4.97 | -9.08 | 2 | 4 | 0 | 58 | 274.345 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 2.34 | -49.57 | 1 | 4 | -1 | 61 | 273.337 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
