In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2006 | 21 | 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) | 2.77 | 3.9 | -11.15 | 2 | 6 | 0 | 80 | 302.359 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.77 | 4.34 | -30.06 | 3 | 6 | 1 | 81 | 303.367 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.77 | 3.91 | -10.54 | 2 | 6 | 0 | 80 | 302.359 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 1.39 | -9.9 | 2 | 6 | 0 | 83 | 302.359 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.