| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 25 | No |
Popular Name: Escholine Escholine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2141-09-5 , [2141-09-5]
(6aS)-1,11-Dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium
| 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) | -0.57 | 7.46 | -38.4 | 2 | 5 | 1 | 59 | 342.415 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.57 | 8.34 | -51 | 1 | 5 | 0 | 62 | 341.407 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.