In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 27 | No |
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) | 3.87 | 10.7 | -57.59 | 1 | 7 | -1 | 82 | 420.927 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.06 | 9.62 | -90.45 | 0 | 7 | -2 | 88 | 419.919 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 10.86 | -25.69 | 2 | 7 | 0 | 85 | 421.935 | 7 | ↓ |