In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2007 | 35 | 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) | 1.67 | 4.98 | -68.68 | 0 | 9 | -1 | 104 | 500.597 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.09 | 9.2 | -50.15 | 1 | 9 | 1 | 99 | 502.613 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 4.75 | -54.38 | 2 | 9 | 1 | 103 | 502.613 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 7.32 | -86.43 | 1 | 9 | 0 | 105 | 501.605 | 9 | ↓ |