In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2009 | 19 | Yes |
Popular Name: 6-[[(1R)-4-(diethylamino)-1-methyl-butyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1R)-4-(diethylamino)-1-meth…
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) | 0.42 | 3.2 | -38.95 | 4 | 7 | 1 | 95 | 270.357 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.88 | 1.54 | -53.36 | 3 | 7 | 0 | 98 | 269.349 | 8 | ↓ |