In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 20 | 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) | 0.94 | 5.65 | -30.86 | 2 | 5 | 1 | 58 | 274.392 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 6.25 | -13.83 | 1 | 5 | 0 | 57 | 273.384 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 5.87 | -89.4 | 3 | 5 | 2 | 63 | 275.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.