In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2010 | 23 | Yes |
Popular Name: 6-[[(3-chlorophenyl)methyl-isopropyl-amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[(3-chlorophenyl)methyl-isopr…
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) | 2.23 | 9.69 | -59.1 | 1 | 5 | 1 | 48 | 336.843 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 7.86 | -12.59 | 0 | 5 | 0 | 47 | 335.835 | 5 | ↓ |