In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 22 | No |
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) | 2.96 | 5.06 | -115.23 | 4 | 6 | -1 | 120 | 336.389 | 14 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 4.72 | -136.29 | 3 | 6 | -2 | 119 | 335.381 | 14 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 3.91 | -54.03 | 5 | 6 | 0 | 117 | 337.397 | 14 | ↓ |