In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2011 | 23 | 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) | 0.17 | 7.83 | -113.89 | 2 | 7 | -2 | 121 | 314.297 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.17 | 5.91 | -57.75 | 3 | 7 | -1 | 119 | 315.305 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.