In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 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) | 4.60 | 10.86 | -20.47 | 2 | 7 | 0 | 122 | 477.615 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.05 | 9.03 | -50.06 | 1 | 7 | -1 | 126 | 476.607 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.