In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 18 | 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) | 2.81 | 4.91 | -52.25 | 2 | 3 | 1 | 51 | 288.458 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 4.01 | -10.68 | 1 | 3 | 0 | 46 | 287.45 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.