In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 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) | 2.31 | 5.34 | -60.24 | 0 | 8 | -1 | 95 | 439.488 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 8.3 | -48.75 | 2 | 8 | 1 | 94 | 441.504 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 7.75 | -71.48 | 1 | 8 | 0 | 96 | 440.496 | 8 | ↓ |