In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 17 | 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) | 3.56 | 7.72 | -56.03 | 0 | 4 | -1 | 56 | 255.725 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 8.05 | -32.83 | 1 | 4 | 0 | 58 | 256.733 | 6 | ↓ |