In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | No |
Popular Name: 4-fluoro-3-[[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]methyl]benzothiophene-2-carboxylic 4-fluoro-3-[[methyl-[(3R)-tetrah…
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) | 3.21 | 10.07 | -41.01 | 1 | 3 | 0 | 45 | 325.43 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 7.78 | -52.81 | 0 | 3 | -1 | 43 | 324.422 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.