In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 35 | 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) | 0.68 | 5.74 | -18.34 | 1 | 9 | 0 | 101 | 478.549 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.68 | 6.2 | -56.68 | 2 | 9 | 1 | 102 | 479.557 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.