In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 30 | 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) | 2.90 | 8.31 | -58.42 | 3 | 7 | 1 | 93 | 432.566 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 5.63 | -52.66 | 2 | 7 | 0 | 96 | 431.558 | 10 | ↓ |