In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | 2.55 | 5.78 | -69.52 | 4 | 8 | 1 | 93 | 415.514 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 3.61 | -28.28 | 3 | 8 | 0 | 92 | 414.506 | 10 | ↓ |