In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 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) | 3.28 | 9.17 | -56.05 | 1 | 3 | 0 | 45 | 229.364 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.28 | 7.19 | -36.61 | 2 | 3 | 1 | 42 | 230.372 | 10 | ↓ |