| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 21 | Yes |
Popular Name: (2S)-1-phenoxy-3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propan-2-ol (2S)-1-phenoxy-3-[[(4S)-4,5,6,7-…
| 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) | 2.22 | 6.33 | -46.27 | 3 | 3 | 1 | 46 | 304.435 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 5.19 | -7.22 | 2 | 3 | 0 | 41 | 303.427 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
