In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 30 | 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) | 2.55 | 5.89 | -12.64 | 1 | 6 | 0 | 62 | 424.557 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 8.33 | -48.81 | 2 | 6 | 1 | 63 | 425.565 | 10 | ↓ |