In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 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) | 2.09 | 6.76 | -60.72 | 1 | 6 | -1 | 85 | 276.316 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 7.23 | -58.89 | 2 | 6 | 0 | 87 | 277.324 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.