In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2010 | 32 | No |
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) | 2.03 | 6.92 | -22.19 | 0 | 8 | 0 | 78 | 449.584 | 4 | ↓ |
Lo Low (pH 4.5-6) | -3.31 | 7.47 | -59.89 | 0 | 8 | 1 | 77 | 450.592 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.