In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 24 | Yes |
Popular Name: 7-[[isopropyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-4-methyl-chromen-2-one 7-[[isopropyl-[(5-methyl-1,2,4-o…
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) | 2.32 | 7.91 | -52.78 | 1 | 6 | 1 | 74 | 328.392 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 6.23 | -16.35 | 0 | 6 | 0 | 72 | 327.384 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.