In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 27 | 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) | 6.17 | 11.1 | -12.37 | 1 | 4 | 0 | 39 | 365.521 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.17 | 11.55 | -24.92 | 2 | 4 | 1 | 40 | 366.529 | 6 | ↓ |