In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2004 | 30 | 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) | 2.40 | 8.46 | -13.71 | 1 | 9 | 0 | 112 | 450.542 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.47 | 6.97 | -47.08 | 0 | 9 | -1 | 119 | 449.534 | 9 | ↓ |