In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 35 | 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) | 4.63 | 6.99 | -58.16 | 3 | 5 | -1 | 101 | 487.701 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.63 | 5.04 | -9.43 | 4 | 5 | 0 | 98 | 488.709 | 2 | ↓ |