In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2008 | 26 | 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) | 3.02 | 8.86 | -28.28 | 2 | 6 | 0 | 71 | 358.462 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 8.82 | -14.19 | 1 | 6 | 0 | 70 | 357.454 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 8.75 | -14.04 | 1 | 6 | 0 | 70 | 357.454 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 8.75 | -13.99 | 1 | 6 | 0 | 70 | 357.454 | 6 | ↓ |