In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 16 | Yes |
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) | 1.56 | 5.54 | -82.7 | 4 | 4 | 2 | 48 | 222.336 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 5.07 | -39.24 | 3 | 4 | 1 | 47 | 221.328 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 2.87 | -4.84 | 2 | 4 | 0 | 45 | 220.32 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.56 | 3.33 | -27.91 | 3 | 4 | 1 | 47 | 221.328 | 3 | ↓ |