In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 29th, 2006 | 34 | 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) | 7.22 | 12.77 | -8.46 | 3 | 4 | 0 | 68 | 504.442 | 5 | ↓ |
Lo Low (pH 4.5-6) | 7.22 | 12.98 | -36.4 | 4 | 4 | 1 | 69 | 505.45 | 5 | ↓ |