In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 14 | No |
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) | 2.12 | 6.34 | -51.31 | 2 | 4 | 1 | 62 | 213.282 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 4.91 | -5.63 | 1 | 4 | 0 | 58 | 212.274 | 5 | ↓ |