In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 32 | 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) | 4.88 | 11.02 | -53.7 | 0 | 6 | -1 | 83 | 515.767 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.33 | 9.97 | -27.16 | 1 | 6 | 0 | 80 | 516.775 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.30 | 10.98 | -19.86 | 0 | 6 | 0 | 77 | 516.775 | 7 | ↓ |