In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 24 | Yes |
Popular Name: (7S)-7-(4-ethylphenyl)-5-(4-fluorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7S)-7-(4-ethylphenyl)-5-(4-fluo…
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) | 4.18 | 13.23 | -13.08 | 0 | 4 | 0 | 43 | 320.371 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 14.59 | -46.82 | 2 | 4 | 1 | 47 | 321.379 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 13.55 | -37.25 | 1 | 4 | 1 | 45 | 321.379 | 3 | ↓ |