In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 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) | 3.04 | 9.06 | -33.7 | 1 | 2 | 1 | 8 | 259.417 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 6.84 | -1.92 | 0 | 2 | 0 | 6 | 258.409 | 3 | ↓ |