In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 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) | 3.31 | 6.86 | -38.12 | 2 | 2 | 1 | 26 | 220.336 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.31 | 5.57 | -2.9 | 1 | 2 | 0 | 21 | 219.328 | 3 | ↓ |