In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2011 | 28 | 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) | 0.92 | 6.65 | -53.9 | 3 | 7 | 1 | 83 | 454.389 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 4.44 | -23.62 | 2 | 7 | 0 | 82 | 453.381 | 9 | ↓ |