In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2009 | 37 | No |
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) | -1.56 | 3.85 | -62.82 | 4 | 15 | -1 | 218 | 553.534 | 9 | ↓ |
Hi High (pH 8-9.5) | -1.10 | 3.06 | -116.43 | 3 | 15 | -2 | 221 | 552.526 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.