In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 19 | 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) | 1.68 | 7.82 | -42.34 | 3 | 6 | 1 | 74 | 263.369 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 8.07 | -97.44 | 4 | 6 | 2 | 75 | 264.377 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 3.66 | -85.42 | 4 | 6 | 2 | 75 | 264.377 | 5 | ↓ |