| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 25 | Yes |
Popular Name: dibutyl-[(7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]ammonium dibutyl-[(7-hydroxy-4-keto-2,3-d…
| 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) | 4.93 | 11.67 | -39.79 | 2 | 4 | 1 | 55 | 344.475 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.93 | 12.27 | -22.04 | 1 | 4 | 0 | 58 | 343.467 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.