In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 19 | Yes |
Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)cyclohexanamine 1-(4,5-dihydrothieno[3,2-e][1,3]…
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) | 3.92 | 6.83 | -45.34 | 3 | 2 | 1 | 41 | 291.465 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 6.56 | -7.71 | 2 | 2 | 0 | 39 | 290.457 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.