In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 17 | 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) | 1.42 | 6.09 | -36.88 | 2 | 3 | 1 | 29 | 234.367 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 7.5 | -114.66 | 3 | 3 | 2 | 34 | 235.375 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 5.22 | -47.39 | 2 | 3 | 1 | 33 | 234.367 | 6 | ↓ |