In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 30 | 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) | 1.67 | 5.44 | -68.23 | 1 | 8 | -1 | 112 | 414.434 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 4.54 | -20.98 | 2 | 8 | 0 | 109 | 415.442 | 10 | ↓ |