In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 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) | 3.28 | 11.58 | -11.81 | 0 | 6 | 0 | 54 | 407.971 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 13.5 | -47.14 | 1 | 6 | 1 | 55 | 408.979 | 6 | ↓ |