In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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) | 2.68 | 11.02 | -115.27 | 4 | 6 | 2 | 70 | 464.654 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 8.37 | -56.61 | 3 | 6 | 1 | 69 | 463.646 | 7 | ↓ |