In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 21 | 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) | 2.65 | 5.98 | -55.88 | 3 | 6 | 1 | 92 | 289.311 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 5.59 | -9.6 | 2 | 6 | 0 | 90 | 288.303 | 5 | ↓ |