In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 30 | Yes |
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) | 0.20 | 5.79 | -58.38 | 3 | 8 | 1 | 97 | 411.53 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.20 | 6.25 | -107.33 | 4 | 8 | 2 | 98 | 412.538 | 4 | ↓ |