In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 36 | 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) | 1.47 | 4.23 | -124.72 | 2 | 12 | -2 | 185 | 571.014 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 5 | -203.9 | 1 | 12 | -3 | 188 | 570.006 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.