In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 35 | 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) | 5.43 | 11.93 | -128.45 | 1 | 5 | -2 | 100 | 484.677 | 2 | ↓ |
Lo Low (pH 4.5-6) | 5.43 | 10.18 | -56.77 | 2 | 5 | -1 | 98 | 485.685 | 2 | ↓ |
Lo Low (pH 4.5-6) | 5.43 | 10.07 | -58.18 | 2 | 5 | -1 | 98 | 485.685 | 2 | ↓ |