In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 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) | 2.89 | 6.81 | -56.94 | 3 | 7 | 1 | 83 | 457.62 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 4.23 | -45.86 | 2 | 7 | 0 | 86 | 456.612 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.89 | 9.14 | -129.3 | 4 | 7 | 2 | 84 | 458.628 | 9 | ↓ |