In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 20 | Yes |
Popular Name: (1S,3S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-3-methyl-cyclohexanamine (1S,3S)-1-(4,5-dihydrothieno[3,2…
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) | 3.92 | 7.44 | -45.88 | 3 | 2 | 1 | 41 | 305.492 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 7.24 | -6.99 | 2 | 2 | 0 | 39 | 304.484 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.