| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 16 | Yes |
Popular Name: (1S,2R)-2-[[(1S)-1-(3-thienyl)ethyl]amino]cycloheptanol (1S,2R)-2-[[(1S)-1-(3-thienyl)et…
| 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) | 2.90 | 4.63 | -34.26 | 3 | 2 | 1 | 37 | 240.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 3.55 | -2.84 | 2 | 2 | 0 | 32 | 239.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
