In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 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) | 4.16 | 10.45 | -40.36 | 2 | 2 | 1 | 26 | 282.407 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.16 | 9.31 | -4.73 | 1 | 2 | 0 | 21 | 281.399 | 6 | ↓ |