In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 26 | Yes |
None
None
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) | 1.59 | 5.88 | -11.02 | 0 | 6 | 0 | 47 | 366.55 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 7.98 | -33.87 | 1 | 6 | 1 | 48 | 367.558 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 8.08 | -36.59 | 1 | 6 | 1 | 48 | 367.558 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.