In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 16 | 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) | 2.09 | 4.99 | -14.05 | 2 | 3 | 0 | 42 | 235.356 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 5.28 | -49.76 | 3 | 3 | 1 | 43 | 236.364 | 2 | ↓ |