In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 19 | Yes |
Popular Name: 3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-ol 3-(4-thieno[2,3-d]pyrimidin-4-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) | 1.05 | 5.15 | -44.19 | 2 | 5 | 1 | 54 | 279.389 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.05 | 2.92 | -8.34 | 1 | 5 | 0 | 52 | 278.381 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.