In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2010 | 31 | 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) | 6.28 | 12.76 | -11.46 | 0 | 4 | 0 | 38 | 474.402 | 3 | ↓ |
Lo Low (pH 4.5-6) | 6.28 | 14.81 | -48.73 | 1 | 4 | 1 | 39 | 475.41 | 3 | ↓ |
Lo Low (pH 4.5-6) | 6.28 | 15.1 | -47.01 | 1 | 4 | 1 | 39 | 475.41 | 3 | ↓ |