In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2011 | 17 | 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) | 2.32 | 6.07 | -32.27 | 2 | 2 | 1 | 20 | 257.76 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.32 | 7.6 | -98.4 | 3 | 2 | 2 | 21 | 258.768 | 2 | ↓ |