In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 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) | 2.43 | 10.07 | -78.46 | 1 | 9 | 0 | 106 | 484.549 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.43 | 9.18 | -59.03 | 2 | 9 | 1 | 103 | 485.557 | 9 | ↓ |