In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 19 | 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) | 1.40 | 5.62 | -44.65 | 0 | 8 | -1 | 112 | 256.201 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.40 | 6.09 | -36.93 | 1 | 8 | 0 | 114 | 257.209 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.