In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 31 | 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) | 2.94 | 8.3 | -47.43 | 1 | 6 | 1 | 62 | 440.589 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 10.76 | -112.89 | 2 | 6 | 2 | 63 | 441.597 | 7 | ↓ |