In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 14th, 2006 | 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) | 6.22 | 1.6 | -7.74 | 0 | 5 | 0 | 64 | 411.542 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.06 | 1.29 | -13.25 | 0 | 5 | 0 | 64 | 411.542 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.24 | 0.12 | -11.73 | 0 | 5 | 0 | 64 | 411.542 | 8 | ↓ |