In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | 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) | 3.52 | 8.12 | -52.27 | 3 | 3 | 1 | 61 | 281.379 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.52 | 7.8 | -5.37 | 2 | 3 | 0 | 59 | 280.371 | 5 | ↓ |