In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 35 | 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) | 2.26 | 6.39 | -60.18 | 0 | 9 | -1 | 105 | 483.541 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 8.79 | -69.73 | 1 | 9 | 0 | 106 | 484.549 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.26 | 7.97 | -51.95 | 2 | 9 | 1 | 103 | 485.557 | 10 | ↓ |