In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 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) | 3.99 | 12.49 | -81.9 | 1 | 7 | 0 | 87 | 474.557 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.99 | 12.25 | -48.25 | 2 | 7 | 1 | 84 | 475.565 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 1.51 | -48.99 | 1 | 7 | 1 | 81 | 475.565 | 10 | ↓ |