In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 28 | Yes |
Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide N-(5-butyl-1,3,4-thiadiazol-2-yl…
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) | 4.39 | 9.91 | -12.97 | 1 | 7 | 0 | 90 | 399.52 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.46 | 8.85 | -47.93 | 0 | 7 | -1 | 96 | 398.512 | 9 | ↓ |