In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 13 | 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) | 2.74 | 5.82 | -4.12 | 2 | 2 | 0 | 29 | 176.263 | 0 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 5.61 | -41.25 | 3 | 2 | 1 | 31 | 177.271 | 0 | ↓ |