In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 29 | 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) | 1.79 | 4.69 | -16.34 | 2 | 7 | 0 | 88 | 419.547 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 6.74 | -54.34 | 3 | 7 | 1 | 89 | 420.555 | 10 | ↓ |