In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 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) | 3.87 | 9.29 | -37.23 | 1 | 2 | 1 | 22 | 226.384 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.87 | 7.27 | -5.38 | 0 | 2 | 0 | 20 | 225.376 | 5 | ↓ |