In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2008 | 29 | 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) | 4.49 | 10.12 | -59.62 | 0 | 5 | -1 | 70 | 410.877 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 10.97 | -23.43 | 0 | 5 | 0 | 64 | 411.885 | 7 | ↓ |