In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 21 | Yes |
Popular Name: 2-[[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methyl]-1,3-benzothiazole 2-[[(2S)-2-(1,3-dioxolan-2-yl)-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) | 2.61 | 5.46 | -7.69 | 0 | 4 | 0 | 35 | 304.415 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 7.55 | -30.51 | 1 | 4 | 1 | 36 | 305.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.