In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 31 | 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) | 3.47 | 7.49 | -61.13 | 1 | 7 | -1 | 103 | 426.489 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 6.74 | -13.59 | 2 | 7 | 0 | 100 | 427.497 | 11 | ↓ |