In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 31 | 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) | -0.14 | 2.85 | -65.06 | 1 | 9 | -1 | 121 | 425.417 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.14 | 2.1 | -20.97 | 2 | 9 | 0 | 118 | 426.425 | 8 | ↓ |