In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 42 | 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) | 0.54 | -0.59 | -54.19 | 8 | 13 | 1 | 220 | 585.586 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.54 | -1.77 | -24.88 | 7 | 13 | 0 | 215 | 584.578 | 7 | ↓ |