| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2014 | 12 | Yes |
Popular Name: (1R,2R,3S,5R)-3-Amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol (1R,2R,3S,5R)-3-Amino-2,6,6-trim…
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CAS Numbers: 168286-10-0 , 69363-09-3
| 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) | 1.14 | 0.85 | -47.21 | 4 | 2 | 1 | 48 | 170.276 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 0.75 | -2.2 | 3 | 2 | 0 | 46 | 169.268 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.