In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 28 | 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) | 3.42 | 9.01 | -11.78 | 2 | 8 | 0 | 94 | 396.838 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.60 | 9.11 | -38.37 | 3 | 8 | 1 | 99 | 397.846 | 4 | ↓ |