In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 30 | Yes |
Popular Name: (4-benzylpiperazin-1-yl)-[(3S)-1-thiazolo[5,4-b]pyridin-2-yl-3-piperidyl]methanone (4-benzylpiperazin-1-yl)-[(3S)-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) | 3.11 | 9.25 | -11.77 | 0 | 6 | 0 | 53 | 421.57 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.11 | 11.46 | -50.07 | 1 | 6 | 1 | 54 | 422.578 | 4 | ↓ |