In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2007 | 36 | No |
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) | 5.55 | 11.74 | -58.09 | 0 | 7 | -1 | 92 | 499.568 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.99 | 11.72 | -19.09 | 1 | 7 | 0 | 89 | 500.576 | 6 | ↓ |