In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2008 | 29 | 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) | 1.43 | 4.17 | -53.98 | 1 | 8 | -1 | 106 | 398.391 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.43 | 2.87 | -22.33 | 2 | 8 | 0 | 103 | 399.399 | 7 | ↓ |