In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 27 | Yes |
Popular Name: 3-[[5-[(2,4-dimethylphenyl)methyl]-4-hydroxy-6-methyl-pyrimidin-2-yl]amino]benzoic 3-[[5-[(2,4-dimethylphenyl)methy…
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) | 4.81 | 12.18 | -52.42 | 2 | 6 | -1 | 98 | 362.409 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.27 | 10.58 | -138.1 | 1 | 6 | -2 | 101 | 361.401 | 5 | ↓ |