In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 23 | 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) | 3.51 | 10.63 | -55.43 | 0 | 3 | -1 | 57 | 315.433 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.51 | 8.66 | -11.71 | 1 | 3 | 0 | 54 | 316.441 | 1 | ↓ |