In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2006 | 18 | Yes |
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) | 2.36 | 6.46 | -22.19 | 1 | 3 | 0 | 46 | 240.237 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 6.66 | -51.43 | 2 | 3 | 1 | 47 | 241.245 | 1 | ↓ |