In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | Yes |
None
None
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) | 3.19 | 7.4 | -16.58 | 0 | 7 | 0 | 74 | 444.487 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 10.25 | -62.49 | 1 | 7 | 1 | 75 | 445.495 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 7.87 | -50.73 | 1 | 7 | 1 | 75 | 445.495 | 5 | ↓ |