In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 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) | 2.40 | 7.05 | -58.79 | 1 | 5 | -1 | 78 | 278.328 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 5.93 | -20.92 | 2 | 5 | 0 | 76 | 279.336 | 10 | ↓ |