| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 21 | Yes |
Popular Name: 4-[(1S)-1-hydroxy-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]ethyl]benzonitrile 4-[(1S)-1-hydroxy-2-[[(4R)-4,5,6…
| 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) | 1.75 | 5.8 | -8.11 | 2 | 3 | 0 | 56 | 298.411 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 7.03 | -53.08 | 3 | 3 | 1 | 61 | 299.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
