In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2008 | 28 | Yes |
Popular Name: N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide N-[(1R)-1-(3,4-diethoxyphenyl)et…
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) | 2.97 | 6.36 | -11.78 | 2 | 7 | 0 | 93 | 381.432 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 4.58 | -47.54 | 1 | 7 | -1 | 96 | 380.424 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.