In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 33 | 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) | 2.03 | 6.75 | -55.16 | 1 | 10 | -1 | 145 | 455.443 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 5.84 | -15.16 | 2 | 10 | 0 | 142 | 456.451 | 10 | ↓ |