| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 14th, 2014 | 22 | Yes |
Popular Name: Diethyl2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diyldiacetate Diethyl2,2'-tricyclo[3.3.1.1~3,7…
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CAS Number: 81657-07-0
| 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) | 3.36 | 10.07 | -109.14 | 0 | 4 | -2 | 80 | 306.402 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 8.09 | -50.95 | 1 | 4 | -1 | 77 | 307.41 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 7.95 | -47.06 | 1 | 4 | -1 | 77 | 307.41 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.