In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 31 | 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) | 3.05 | 6.65 | -53.45 | 0 | 6 | -1 | 73 | 443.882 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 8.97 | -65.42 | 1 | 6 | 0 | 74 | 444.89 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.05 | 8.14 | -45.91 | 2 | 6 | 1 | 71 | 445.898 | 6 | ↓ |