In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2007 | 32 | 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) | 0.47 | 8.5 | -12.85 | 0 | 10 | 0 | 116 | 457.512 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.23 | 7.62 | -53.48 | 0 | 10 | -1 | 122 | 456.504 | 5 | ↓ |