In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2004 | 29 | Yes |
Popular Name: 2-[(3-bromobenzyl)thio]-5-tetralin-6-yl-1H-thieno[2,3-d]pyrimidin-4-one 2-[(3-bromobenzyl)thio]-5-tetral…
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) | 7.51 | 13.13 | -16.58 | 1 | 3 | 0 | 46 | 483.456 | 4 | ↓ |
Mid Mid (pH 6-8) | 7.96 | 11.9 | -47.98 | 0 | 3 | -1 | 49 | 482.448 | 4 | ↓ |