In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 33 | 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) | 4.29 | 10.42 | -47.09 | 0 | 9 | -1 | 134 | 444.423 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.83 | 12.2 | -13.86 | 1 | 9 | 0 | 131 | 445.431 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.