In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2006 | 18 | 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) | 3.46 | 4.67 | -8.33 | 1 | 3 | 0 | 42 | 261.708 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.46 | 5.81 | -39.75 | 2 | 3 | 1 | 43 | 262.716 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.46 | 5.1 | -41.28 | 2 | 3 | 1 | 43 | 262.716 | 3 | ↓ |