In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 14 | 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) | 0.66 | 3.91 | -6.78 | 0 | 3 | 0 | 39 | 191.23 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.66 | 4.4 | -36.67 | 1 | 3 | 1 | 40 | 192.238 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.