In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2011 | 36 | 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) | 2.98 | 10.3 | -59.92 | 2 | 8 | -1 | 128 | 501.644 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.98 | 8.33 | -22.49 | 3 | 8 | 0 | 125 | 502.652 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.