In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 24 | No |
Popular Name: 3-[(2S)-5-cyclohexyl-2-hydroxy-3-methylene-pentyl]-2,4-dihydroxy-6-methyl-benzaldehyde 3-[(2S)-5-cyclohexyl-2-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) | 4.86 | 6.06 | -9.07 | 3 | 4 | 0 | 78 | 332.44 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.86 | 6.53 | -41.96 | 2 | 4 | -1 | 81 | 331.432 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.