In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2006 | 20 | Yes |
Popular Name: 7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl 1H-1,2,4-triazol-3-yl sulfide 7-methyl-5,6,7,8-tetrahydro[1]be…
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 | 8.92 | -8.68 | 1 | 5 | 0 | 67 | 303.416 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.14 | 8.66 | -42.82 | 0 | 5 | -1 | 66 | 302.408 | 2 | ↓ |