In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2004 | 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) | 4.22 | 9.01 | -27.02 | 1 | 1 | 1 | 4 | 236.404 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.22 | 7.41 | -1.25 | 0 | 1 | 0 | 3 | 235.396 | 2 | ↓ |