In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2011 | 39 | 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) | 3.55 | 11.9 | -62.29 | 1 | 10 | -1 | 138 | 560.015 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.55 | 12.2 | -20.65 | 2 | 10 | 0 | 136 | 561.023 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.