In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2004 | 31 | Yes |
Popular Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-tetralin-6-yl-3H-thieno[2,3-d]pyrimidin-4-one 2-[[2-(4-bromophenyl)-2-keto-eth…
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) | 7.54 | 11.75 | -46.08 | 0 | 4 | -1 | 66 | 510.458 | 5 | ↓ |
Mid Mid (pH 6-8) | 7.08 | 13.47 | -13.23 | 1 | 4 | 0 | 63 | 511.466 | 5 | ↓ |
Mid Mid (pH 6-8) | 7.08 | 12.99 | -16.34 | 1 | 4 | 0 | 63 | 511.466 | 5 | ↓ |