| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 14th, 2014 | 27 | Yes |
Popular Name: 6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]nicotinicAcidMethylEster 6-[(3,5,5,8,8-Pentamethyl-5,6,7,…
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CAS Number: 153559-44-5
| 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) | 5.81 | 13.19 | -6.72 | 0 | 3 | 0 | 39 | 363.501 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.81 | 13.52 | -36.94 | 1 | 3 | 1 | 40 | 364.509 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.