In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2011 | 24 | Yes |
Popular Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]propanamide (2R)-N-(1,3-benzothiazol-2-yl)-2…
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) | 2.50 | 4.64 | -17.46 | 1 | 5 | 0 | 48 | 354.426 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.50 | 6.76 | -43.48 | 2 | 5 | 1 | 50 | 355.434 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.