In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 30 | 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) | 3.59 | 9.62 | -23.83 | 2 | 8 | 0 | 121 | 458.546 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.05 | 8.47 | -52.27 | 1 | 8 | -1 | 124 | 457.538 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.