In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2004 | 30 | Yes |
Popular Name: 2-(phenacylthio)-5-tetralin-6-yl-3H-thieno[2,3-d]pyrimidin-4-one 2-(phenacylthio)-5-tetralin-6-yl…
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) | 6.73 | 11.12 | -48.87 | 0 | 4 | -1 | 66 | 431.562 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.27 | 12.85 | -13.36 | 1 | 4 | 0 | 63 | 432.57 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.27 | 12.36 | -16.78 | 1 | 4 | 0 | 63 | 432.57 | 5 | ↓ |