In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 46 | 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) | 6.87 | 15.97 | -56.23 | 2 | 9 | -1 | 121 | 617.726 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.87 | 16.44 | -78.58 | 3 | 9 | 0 | 123 | 618.734 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.