| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 31 | No |
Popular Name: 1,6,7-trihydroxy-8-(3-hydroxy-3-methyl-butyl)-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one 1,6,7-trihydroxy-8-(3-hydroxy-3-…
| 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) | 5.13 | 3.47 | -11.71 | 4 | 7 | 0 | 120 | 428.481 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.13 | 4.39 | -46.36 | 3 | 7 | -1 | 123 | 427.473 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.13 | 4.45 | -57.15 | 3 | 7 | -1 | 123 | 427.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
