In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 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) | 3.29 | 7.23 | -44.22 | 2 | 7 | 1 | 68 | 475.009 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.29 | 9.47 | -112.1 | 3 | 7 | 2 | 69 | 476.017 | 10 | ↓ |