In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 15 | 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) | -0.60 | -2.12 | -13.74 | 3 | 5 | 0 | 93 | 228.273 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.60 | -1.64 | -44.99 | 4 | 5 | 1 | 95 | 229.281 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.