In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 17 | Yes |
Popular Name: 2-[(2R)-pyrrolidin-2-yl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole 2-[(2R)-pyrrolidin-2-yl]-4,5-dih…
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) | 2.70 | 6.52 | -36.69 | 2 | 2 | 1 | 29 | 263.411 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 5.17 | -6.91 | 1 | 2 | 0 | 25 | 262.403 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.