In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 16 | 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) | 2.59 | 3.74 | -50.82 | 4 | 3 | 1 | 57 | 225.356 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 3.88 | -6.09 | 3 | 3 | 0 | 55 | 224.348 | 3 | ↓ |