In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2005 | 31 | 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) | 0.56 | -0.56 | -22.26 | 1 | 8 | 0 | 93 | 418.453 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.56 | -0.76 | -98.94 | 3 | 8 | 2 | 96 | 420.469 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.56 | -0.45 | -40.56 | 2 | 8 | 1 | 94 | 419.461 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.56 | -0.87 | -54.38 | 2 | 8 | 1 | 94 | 419.461 | 5 | ↓ |