In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 37 | 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) | 5.10 | 18.07 | -15.28 | 1 | 8 | 0 | 88 | 496.567 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.27 | 18.52 | -56.94 | 2 | 8 | 1 | 92 | 497.575 | 10 | ↓ |