In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2008 | 34 | 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) | 6.25 | 16.02 | -27.95 | 0 | 6 | 0 | 59 | 440.51 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.25 | 2.47 | -34.5 | 1 | 6 | 1 | 61 | 441.518 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.25 | 2.68 | -66.59 | 2 | 6 | 2 | 62 | 442.526 | 5 | ↓ |