| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 10th, 2011 | 26 | Yes |
Popular Name: (5S)-N2,N2-diethyl-N5-(2-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-2,5-dicarboxamide (5S)-N2,N2-diethyl-N5-(2-pyridyl…
| 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) | 2.39 | 7.94 | -14.84 | 1 | 5 | 0 | 62 | 371.506 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 8.31 | -42.58 | 2 | 5 | 1 | 64 | 372.514 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
