In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 17 | Yes |
Popular Name: (2R)-2-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-2-amine (2R)-2-(4,5-dihydrothieno[3,2-e]…
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) | 3.25 | 5.51 | -45.34 | 3 | 2 | 1 | 41 | 265.427 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 5.23 | -7.82 | 2 | 2 | 0 | 39 | 264.419 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.