In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 28 | No |
Popular Name: 1-[3-[[4-hydroxy-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-2-yl]amino]phenyl]ethanone 1-[3-[[4-hydroxy-6-methyl-5-[(4-…
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) | 3.93 | 11.62 | -18.11 | 2 | 8 | 0 | 121 | 378.388 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 10.02 | -62.01 | 1 | 8 | -1 | 124 | 377.38 | 6 | ↓ |