In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 24 | 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) | 1.87 | 1.65 | -12.36 | 3 | 7 | 0 | 99 | 371.846 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.05 | -1 | -46.22 | 2 | 7 | -1 | 105 | 370.838 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.