In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 26 | 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) | 2.08 | 6.84 | -29.99 | 1 | 7 | 0 | 92 | 394.522 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 5.79 | -57.62 | 0 | 7 | -1 | 99 | 393.514 | 4 | ↓ |