In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 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) | 3.76 | 8.4 | -89.36 | 3 | 3 | 2 | 24 | 299.547 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.76 | 5.91 | -35.09 | 2 | 3 | 1 | 23 | 298.539 | 8 | ↓ |