In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 44 | 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) | 1.95 | 12.39 | -75.81 | 4 | 12 | 0 | 163 | 611.74 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 10.4 | -53.75 | 3 | 12 | -1 | 162 | 610.732 | 10 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 10.41 | -56.73 | 5 | 12 | 1 | 160 | 612.748 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.