In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 40 | 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) | 6.83 | 16.41 | -14.08 | 1 | 6 | 0 | 61 | 532.688 | 4 | ↓ |
Lo Low (pH 4.5-6) | 6.83 | 16.82 | -33.72 | 2 | 6 | 1 | 62 | 533.696 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.