In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2009 | 19 | 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) | 3.20 | 9.46 | -87.62 | 2 | 3 | 2 | 22 | 277.799 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 6.8 | -3.6 | 0 | 3 | 0 | 19 | 275.783 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 7.25 | -33.21 | 1 | 3 | 1 | 21 | 276.791 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 9.03 | -40.27 | 1 | 3 | 1 | 21 | 276.791 | 2 | ↓ |