| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 11 | No |
Popular Name: (1R,5S,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylicacid (1R,5S,6S)-5-Hydroxy-7-oxabicycl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 149560-23-6 , 171596-14-8
7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-hydroxy-, [1S-(1alpha,5beta,6alpha)]- (9CI)
| 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) | -0.68 | 0.59 | -46.86 | 1 | 4 | -1 | 73 | 155.129 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.68 | -1.41 | -9.71 | 2 | 4 | 0 | 70 | 156.137 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.