In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 21 | Yes |
Popular Name: (7R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one (7R)-1-[(3-methyl-1,2,4-oxadiazo…
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) | 0.64 | 2.07 | -9.86 | 1 | 6 | 0 | 71 | 286.335 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.64 | 3.83 | -45.63 | 2 | 6 | 1 | 72 | 287.343 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.