In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2010 | 22 | 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) | -3.35 | -0.08 | -84.55 | 5 | 8 | 0 | 137 | 315.37 | 6 | ↓ |
Hi High (pH 8-9.5) | -3.35 | -0.18 | -55.74 | 4 | 8 | -1 | 136 | 314.362 | 6 | ↓ |