In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2010 | 14 | 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) | 1.59 | 3.38 | -8.09 | 2 | 3 | 0 | 46 | 210.302 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 3.29 | -35.53 | 3 | 3 | 1 | 48 | 211.31 | 1 | ↓ |