In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2011 | 25 | 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) | 1.22 | 6.91 | -20.72 | 0 | 7 | 0 | 76 | 341.367 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.22 | 7.26 | -49.08 | 1 | 7 | 1 | 77 | 342.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.