In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 24 | Yes |
Popular Name: 6-(1-pentanoylpiperidine-4-carbonyl)-3H-1,3-benzoxazol-2-one 6-(1-pentanoylpiperidine-4-carbo…
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) | 2.74 | 6.88 | -21.23 | 1 | 6 | 0 | 83 | 330.384 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 4.26 | -53.83 | 0 | 6 | -1 | 86 | 329.376 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.