In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 23 | Yes |
Popular Name: (5S,7R)-7-(2-methoxyphenyl)-5-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (5S,7R)-7-(2-methoxyphenyl)-5-ph…
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) | 2.94 | 11.15 | -8.86 | 1 | 5 | 0 | 52 | 306.369 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.12 | 11.66 | -28.31 | 2 | 5 | 1 | 57 | 307.377 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 11.66 | -31.56 | 2 | 5 | 1 | 53 | 307.377 | 3 | ↓ |