| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 30 | Yes |
Popular Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[[4-(3-chlorophenyl)piperazin-…
| 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) | 4.62 | 12.4 | -60.83 | 2 | 5 | 1 | 53 | 437.976 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.62 | 10.35 | -13.4 | 1 | 5 | 0 | 52 | 436.968 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 10.17 | -44.54 | 1 | 5 | 0 | 57 | 436.968 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.62 | 12.54 | -58.08 | 2 | 5 | 1 | 53 | 437.976 | 4 | ↓ |
