In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 29 | 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) | 1.79 | 6.47 | -12.99 | 4 | 9 | 0 | 115 | 398.467 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 6.87 | -38.51 | 5 | 9 | 1 | 116 | 399.475 | 6 | ↓ |