In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2008 | 31 | 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) | 2.26 | -3.71 | -44.32 | 2 | 6 | 1 | 69 | 437.589 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.26 | -3.61 | -96.94 | 3 | 6 | 2 | 70 | 438.597 | 5 | ↓ |