In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2008 | 23 | Yes |
Popular Name: (7R)-2-methyl-7-phenyl-5-(p-tolyl)-3,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7R)-2-methyl-7-phenyl-5-(p-toly…
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) | 3.63 | 12.74 | -13.14 | 0 | 4 | 0 | 43 | 302.381 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.63 | 13.21 | -26.22 | 1 | 4 | 1 | 44 | 303.389 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 13.37 | -26.46 | 2 | 4 | 1 | 48 | 303.389 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.63 | 13.06 | -33.17 | 1 | 4 | 1 | 45 | 303.389 | 2 | ↓ |