In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 21 | 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) | 2.94 | 7.25 | -47.34 | 2 | 4 | 1 | 44 | 294.415 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 5.89 | -6.03 | 1 | 4 | 0 | 40 | 293.407 | 7 | ↓ |