In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2010 | 16 | 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) | 1.03 | 4.25 | -12.47 | 1 | 6 | 0 | 67 | 219.248 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.03 | 4.73 | -32.28 | 2 | 6 | 1 | 68 | 220.256 | 1 | ↓ |