| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-2-[(N,2,4-trimethylanilino)methyl]cycloheptanol (1S,2R)-2-[(N,2,4-trimethylanili…
| 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) | 4.51 | 8.42 | -3.34 | 1 | 2 | 0 | 23 | 261.409 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.51 | 8.39 | -28.63 | 2 | 2 | 1 | 25 | 262.417 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
