In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2007 | 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) | 2.45 | 5.53 | -60.14 | 0 | 8 | -1 | 95 | 439.488 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 8.45 | -50.92 | 2 | 8 | 1 | 94 | 441.504 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.45 | 7.92 | -72.44 | 1 | 8 | 0 | 96 | 440.496 | 9 | ↓ |