In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 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) | 5.06 | 12.27 | -59.48 | 0 | 5 | -1 | 70 | 438.569 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.06 | 11.38 | -12.26 | 1 | 5 | 0 | 67 | 439.577 | 9 | ↓ |