| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | No |
Popular Name: 2-[[(2S)-2,3-dihydrobenzothiophene-2-carbonyl]amino]oxyacetic 2-[[(2S)-2,3-dihydrobenzothiophe…
| 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) | 0.66 | 6.64 | -55.12 | 1 | 5 | -1 | 78 | 252.271 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 4.24 | -110.3 | 0 | 5 | -2 | 85 | 251.263 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 5.44 | -120.93 | 0 | 5 | -2 | 85 | 251.263 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
