In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2009 | 31 | 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) | 2.38 | 6.79 | -17.78 | 1 | 9 | 0 | 105 | 447.561 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 7.18 | -33.92 | 2 | 9 | 1 | 106 | 448.569 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.