In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 16 | 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) | 2.74 | 4.45 | -10.78 | 1 | 4 | 0 | 64 | 281.061 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.74 | 5.36 | -51.13 | 0 | 4 | -1 | 66 | 280.053 | 0 | ↓ |