In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 30 | No |
None
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) | 0.99 | 2.95 | -84.06 | 3 | 8 | 1 | 119 | 450.562 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 0.74 | -25.69 | 2 | 8 | 0 | 118 | 449.554 | 5 | ↓ |