In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 34 | 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) | 2.29 | 7.44 | -57.49 | 3 | 7 | 1 | 92 | 467.586 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 5.42 | -16.23 | 2 | 7 | 0 | 90 | 466.578 | 6 | ↓ |