In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 31 | 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) | -0.28 | 3.67 | -57.36 | 4 | 9 | 1 | 121 | 428.513 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.17 | 1.09 | -72.03 | 3 | 9 | 0 | 124 | 427.505 | 6 | ↓ |