In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2009 | 18 | 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) | 1.07 | 3.91 | -31.74 | 3 | 4 | 1 | 43 | 250.366 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 3.91 | -30.22 | 3 | 4 | 1 | 43 | 250.366 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 1.63 | -4.25 | 2 | 4 | 0 | 42 | 249.358 | 4 | ↓ |