In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 33 | Yes |
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) | 6.30 | 10.35 | -8.41 | 1 | 4 | 0 | 37 | 452.476 | 6 | ↓ |
Lo Low (pH 4.5-6) | 6.30 | 12.47 | -36.22 | 2 | 4 | 1 | 39 | 453.484 | 6 | ↓ |