In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 19 | Yes |
Popular Name: 1-piperazin-1-yl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanone 1-piperazin-1-yl-2-(thieno[2,3-d…
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) | -0.07 | 3.85 | -53.08 | 3 | 6 | 1 | 75 | 278.361 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.07 | 2.56 | -9.97 | 2 | 6 | 0 | 70 | 277.353 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.