In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 24 | 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) | 2.58 | 10.32 | -52.28 | 2 | 6 | 1 | 60 | 345.858 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 7.72 | -9.19 | 1 | 6 | 0 | 59 | 344.85 | 5 | ↓ |