In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 16 | 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) | 1.73 | 5.65 | -47.12 | 3 | 3 | 1 | 45 | 218.324 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 6.02 | -102.37 | 4 | 3 | 2 | 47 | 219.332 | 3 | ↓ |