In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 24 | Yes |
Popular Name: (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7S)-7-(2,4-dichlorophenyl)-2-me…
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) | 4.47 | 12.54 | -11.33 | 0 | 4 | 0 | 43 | 357.244 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 13.79 | -27.14 | 2 | 4 | 1 | 48 | 358.252 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 13.01 | -26.95 | 1 | 4 | 1 | 44 | 358.252 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.47 | 12.85 | -33.86 | 1 | 4 | 1 | 45 | 358.252 | 2 | ↓ |