In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 33 | 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) | 0.22 | 4.53 | -62.17 | 4 | 9 | 1 | 121 | 454.551 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 1.94 | -67.62 | 3 | 9 | 0 | 124 | 453.543 | 4 | ↓ |