In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2011 | 28 | 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) | -1.33 | -0.59 | -97.18 | 3 | 10 | -2 | 163 | 400.407 | 9 | ↓ |
Lo Low (pH 4.5-6) | -1.52 | 2.07 | -53.32 | 4 | 10 | -1 | 157 | 401.415 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.