In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 31 | 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) | 3.41 | -5.26 | -17.61 | 2 | 8 | 0 | 114 | 472.47 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.41 | -4.68 | -40.76 | 1 | 8 | -1 | 116 | 471.462 | 8 | ↓ |