In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 34 | 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) | -0.74 | 10.11 | -67.99 | 2 | 10 | -1 | 153 | 465.438 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.74 | 9.1 | -134.33 | 1 | 10 | -2 | 148 | 464.43 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.74 | 9.15 | -133.26 | 1 | 10 | -2 | 148 | 464.43 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.74 | 8.11 | -31.79 | 3 | 10 | 0 | 150 | 466.446 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.74 | 8.19 | -38.92 | 3 | 10 | 0 | 150 | 466.446 | 5 | ↓ |