In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2009 | 19 | Yes |
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) | 1.69 | 8 | -97.58 | 2 | 5 | 2 | 44 | 260.341 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 4.44 | -30.35 | 1 | 5 | 1 | 43 | 259.333 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 4 | -7.34 | 0 | 5 | 0 | 41 | 258.325 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 6.9 | -84.91 | 2 | 5 | 2 | 44 | 260.341 | 2 | ↓ |