In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 32 | 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) | 0.85 | 7.15 | -65.77 | 3 | 7 | 1 | 92 | 454.62 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 7.61 | -115.06 | 4 | 7 | 2 | 93 | 455.628 | 6 | ↓ |