In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2009 | 28 | 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) | 3.49 | 7.74 | -54.81 | 3 | 7 | -1 | 103 | 386.472 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.49 | 8.27 | -94.16 | 4 | 7 | 0 | 107 | 387.48 | 10 | ↓ |