| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | Yes |
Popular Name: 3-hydroxy-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-2-carboxamide 3-hydroxy-N-[(4S)-4,5,6,7-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) | 1.17 | 5.66 | -41.23 | 2 | 4 | 0 | 66 | 274.345 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 5.19 | -55.53 | 1 | 4 | -1 | 65 | 273.337 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 4.19 | -11.37 | 2 | 4 | 0 | 62 | 274.345 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
