| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 17 | Yes |
Popular Name: (1S,2R)-2-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]cyclohexanol (1S,2R)-2-[[(4S)-4,5,6,7-tetrahy…
| 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) | 1.94 | 4.63 | -36.41 | 3 | 2 | 1 | 37 | 252.403 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 4.11 | -3.42 | 2 | 2 | 0 | 32 | 251.395 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
