In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 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) | 4.34 | 8.66 | -62.04 | 2 | 4 | 0 | 66 | 298.729 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.34 | 8.23 | -47.89 | 1 | 4 | -1 | 65 | 297.721 | 3 | ↓ |