In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 33 | 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) | 6.12 | 15.34 | -16.98 | 0 | 5 | 0 | 47 | 447.623 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.12 | 16.3 | -24.79 | 1 | 5 | 1 | 49 | 448.631 | 8 | ↓ |