In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 28 | 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) | 1.68 | 10.33 | -124.78 | 0 | 8 | -2 | 121 | 392.452 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 8.25 | -64.4 | 1 | 8 | -1 | 118 | 393.46 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 6.27 | -20.84 | 2 | 8 | 0 | 115 | 394.468 | 4 | ↓ |