In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 18 | 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) | 2.03 | 3.19 | -9.86 | 4 | 4 | 0 | 72 | 247.342 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 3.57 | -22.71 | 5 | 4 | 0 | 74 | 248.35 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.