In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 1st, 2008 | 23 | 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) | 2.37 | 8.28 | -6.89 | 0 | 3 | 0 | 29 | 303.409 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | 10.75 | -114.6 | 2 | 3 | 2 | 31 | 305.425 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | 11.03 | -193.52 | 3 | 3 | 3 | 33 | 306.433 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | 8.72 | -40.87 | 1 | 3 | 1 | 30 | 304.417 | 7 | ↓ |