| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 29 | No |
Popular Name: Vulpecholic acid Vulpecholic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 107368-95-6
None
| 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) | 3.33 | 4.98 | -49.39 | 3 | 5 | -1 | 101 | 407.571 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 3.01 | -9.28 | 4 | 5 | 0 | 98 | 408.579 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene](http://zinc12.docking.org/img/rings/1358.gif)