| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | No |
Popular Name: 3-[[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]methyl]benzothiophene-2-carboxylic 3-[[methyl-[(3R)-tetrahydrothiop…
| 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) | 3.09 | 10.12 | -50.06 | 1 | 3 | 0 | 45 | 307.44 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 7.82 | -53.36 | 0 | 3 | -1 | 43 | 306.432 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
