In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 25 | Yes |
Popular Name: 3-[(7S)-5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol 3-[(7S)-5,7-diphenyl-1,7-dihydro…
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) | 3.02 | 9.65 | -16.45 | 1 | 5 | 0 | 63 | 332.407 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 11.03 | -29.62 | 3 | 5 | 1 | 68 | 333.415 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 10.13 | -28.99 | 2 | 5 | 1 | 65 | 333.415 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.02 | 9.96 | -35.23 | 2 | 5 | 1 | 65 | 333.415 | 5 | ↓ |