In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 28 | 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) | 3.26 | 7.15 | -59.89 | 1 | 5 | -1 | 81 | 461.357 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 6.38 | -16.41 | 2 | 5 | 0 | 78 | 462.365 | 7 | ↓ |