| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 21 | Yes |
Popular Name: 4-(ethylamino)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-2-carboxamide 4-(ethylamino)-N-[(4S)-4,5,6,7-t…
| 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) | 1.62 | 5.8 | -35.72 | 3 | 4 | 1 | 55 | 302.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 5.32 | -9.2 | 2 | 4 | 0 | 54 | 301.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
