In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 29 | 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) | 4.60 | 11.72 | -13.34 | 2 | 7 | 0 | 85 | 388.475 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.77 | 11.74 | -33.42 | 3 | 7 | 1 | 90 | 389.483 | 4 | ↓ |