In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 33 | 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) | 3.48 | 8.49 | -17.48 | 0 | 7 | 0 | 74 | 444.487 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.48 | 8.94 | -48.07 | 1 | 7 | 1 | 75 | 445.495 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.48 | 11.74 | -117.59 | 2 | 7 | 2 | 76 | 446.503 | 5 | ↓ |