In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | 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) | 3.49 | 8.79 | -31.76 | 2 | 2 | 1 | 16 | 273.444 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.49 | 9.93 | -110.02 | 3 | 2 | 2 | 21 | 274.452 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.49 | 7.82 | -41.7 | 2 | 2 | 1 | 20 | 273.444 | 3 | ↓ |