In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 13 | 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) | 2.43 | 4.48 | -8.59 | 2 | 2 | 0 | 39 | 208.311 | 0 | ↓ |
Lo Low (pH 4.5-6) | 2.43 | 4.92 | -27.2 | 3 | 2 | 1 | 40 | 209.319 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.