In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 20 | 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) | 3.92 | 7.24 | -13.5 | 1 | 3 | 0 | 42 | 286.4 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.92 | 8.14 | -27.53 | 2 | 3 | 1 | 43 | 287.408 | 3 | ↓ |