| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: 6-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3H-1,3-benzoxazol-2-one 6-[(1S)-1-amino-2-(3-fluoropheny…
| 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) | 0.59 | 4.65 | -66.59 | 4 | 4 | 1 | 74 | 273.287 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 1.71 | -49.36 | 2 | 4 | -1 | 75 | 271.271 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 2.02 | -85.73 | 3 | 4 | 0 | 77 | 272.279 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
