In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 21 | Yes |
Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-ethyl-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) | 4.37 | 8.61 | -48.65 | 3 | 2 | 1 | 41 | 319.519 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 7.62 | -6.74 | 2 | 2 | 0 | 39 | 318.511 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.