In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2006 | 17 | 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) | 0.72 | -9.79 | -15.27 | 3 | 6 | 0 | 106 | 278.355 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.72 | -9.22 | -42.69 | 2 | 6 | -1 | 108 | 277.347 | 5 | ↓ |