In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 29 | 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) | 2.56 | 6.21 | -60.41 | 1 | 6 | -1 | 90 | 463.279 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.56 | 5.47 | -14.51 | 2 | 6 | 0 | 87 | 464.287 | 8 | ↓ |