In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 29 | 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) | 4.44 | 10.45 | -59.42 | 3 | 8 | -1 | 127 | 394.407 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.90 | 8.87 | -107.97 | 2 | 8 | -2 | 130 | 393.399 | 6 | ↓ |