In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2014 | 42 | 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) | -3.49 | -12.38 | -20.77 | 10 | 15 | 0 | 250 | 595.53 | 6 | ↓ |
Hi High (pH 8-9.5) | -3.49 | -11.63 | -35 | 9 | 15 | 0 | 253 | 594.522 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.