In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2010 | 37 | 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) | 8.33 | 18.39 | -16.35 | 0 | 7 | 0 | 93 | 509.587 | 5 | ↓ |
Ref Reference (pH 7) | 8.33 | 17.16 | -16.74 | 0 | 7 | 0 | 93 | 509.587 | 5 | ↓ |
Lo Low (pH 4.5-6) | 8.33 | 18.94 | -35.09 | 1 | 7 | 1 | 95 | 510.595 | 5 | ↓ |
Lo Low (pH 4.5-6) | 8.33 | 17.68 | -36.49 | 1 | 7 | 1 | 95 | 510.595 | 5 | ↓ |