In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | 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) | 2.83 | 6.73 | -28.04 | 2 | 4 | 1 | 39 | 274.388 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.83 | 5.85 | -4.01 | 1 | 4 | 0 | 37 | 273.38 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.