In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 22 | Yes |
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) | 0.94 | 8.24 | -44.77 | 1 | 6 | 1 | 47 | 304.418 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 5.76 | -15.4 | 0 | 6 | 0 | 46 | 303.41 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 8.7 | -72.95 | 2 | 6 | 2 | 48 | 305.426 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.