In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 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) | 2.21 | 3.7 | -54.37 | 1 | 5 | -1 | 86 | 264.367 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.21 | 2.58 | -16.75 | 2 | 5 | 0 | 83 | 265.375 | 11 | ↓ |