In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2011 | 20 | 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) | 2.66 | 5.48 | -11.83 | 1 | 4 | 0 | 58 | 289.718 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 6.24 | -50.24 | 0 | 4 | -1 | 60 | 288.71 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.