In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 30 | 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) | 2.15 | 7.47 | -16.75 | 2 | 8 | 0 | 101 | 446.602 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 8.93 | -38.63 | 3 | 8 | 1 | 103 | 447.61 | 7 | ↓ |