In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2004 | 26 | Yes |
Popular Name: 3-[(7S)-7-phenyl-5-(p-tolyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol 3-[(7S)-7-phenyl-5-(p-tolyl)-6,7…
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) | 3.47 | 10.31 | -15.94 | 1 | 5 | 0 | 63 | 346.434 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.47 | 11.68 | -29.63 | 3 | 5 | 1 | 68 | 347.442 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.47 | 10.78 | -28.88 | 2 | 5 | 1 | 65 | 347.442 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 10.63 | -34.55 | 2 | 5 | 1 | 65 | 347.442 | 5 | ↓ |