In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2009 | 36 | Yes |
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) | 4.09 | 10.36 | -38.18 | 1 | 9 | -1 | 117 | 482.52 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 10.37 | -15.56 | 2 | 9 | 0 | 119 | 483.528 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.