In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 31 | 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) | 3.28 | 9.26 | -80.45 | 2 | 7 | 0 | 94 | 444.915 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 10.28 | -131.78 | 1 | 7 | -1 | 97 | 443.907 | 8 | ↓ |