In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 32 | 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) | 2.73 | 11.02 | -65.14 | 1 | 9 | 0 | 124 | 439.468 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 10.27 | -50.85 | 2 | 9 | 1 | 121 | 440.476 | 7 | ↓ |