In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 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) | -0.07 | 1.79 | -41.36 | 3 | 4 | 1 | 51 | 226.344 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.07 | 1.37 | -6.97 | 2 | 4 | 0 | 50 | 225.336 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.07 | 3.92 | -96.18 | 4 | 4 | 2 | 52 | 227.352 | 2 | ↓ |