In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2009 | 32 | Yes |
Popular Name: (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-piperidyl]methanone (4-benzylpiperazin-1-yl)-[(3R)-1…
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) | 3.73 | 10.88 | -12.51 | 0 | 6 | 0 | 53 | 449.624 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.73 | 13.16 | -53.21 | 1 | 6 | 1 | 54 | 450.632 | 5 | ↓ |