| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: 5-[(1-prop-2-ynyl-4-piperidyl)amino]-3H-1,3-benzoxazol-2-one 5-[(1-prop-2-ynyl-4-piperidyl)am…
| 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) | 2.26 | 5.23 | -49.78 | 3 | 5 | 1 | 62 | 272.328 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 0.3 | -49.77 | 1 | 5 | -1 | 64 | 270.312 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 2.94 | -9.83 | 2 | 5 | 0 | 61 | 271.32 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
