In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 16 | 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) | 0.13 | -0.76 | -11.81 | 2 | 8 | 0 | 101 | 222.208 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.13 | -1.01 | -49.07 | 3 | 8 | 1 | 103 | 223.216 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.