In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 36 | 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) | 2.40 | 8.14 | -65.82 | 0 | 9 | -1 | 105 | 497.568 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 10.47 | -80.04 | 1 | 9 | 0 | 106 | 498.576 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 9.51 | -53.35 | 2 | 9 | 1 | 103 | 499.584 | 11 | ↓ |