| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 25 | No |
Popular Name: 2-[(7S)-7-(4-dimethylaminophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol 2-[(7S)-7-(4-dimethylaminophenyl…
| 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) | 3.14 | 9.76 | -15.16 | 1 | 6 | 0 | 67 | 333.395 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 10.56 | -58.99 | 0 | 6 | -1 | 69 | 332.387 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 10.31 | -30.3 | 2 | 6 | 1 | 68 | 334.403 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 11.06 | -51.64 | 3 | 6 | 0 | 69 | 335.411 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 11.68 | -30.94 | 3 | 6 | 0 | 71 | 334.403 | 3 | ↓ |
