In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | 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) | 2.05 | 6.82 | -67.69 | 1 | 6 | 0 | 82 | 314.407 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 4.35 | -53.14 | 0 | 6 | -1 | 81 | 313.399 | 8 | ↓ |