In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 32 | 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) | 5.52 | 7.96 | -12.69 | 3 | 6 | 0 | 97 | 473.335 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.52 | 8.28 | -52.71 | 4 | 6 | 1 | 99 | 474.343 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.