In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 24 | Yes |
Popular Name: N-[(1S)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide N-[(1S)-1-(3-isopropyl-1,2,4-oxa…
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) | 1.38 | 2.31 | -10.65 | 2 | 8 | 0 | 114 | 327.344 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.84 | 0.36 | -47.37 | 1 | 8 | -1 | 117 | 326.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.