In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2012 | 20 | 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) | 2.60 | 8.87 | -9.58 | 0 | 3 | 0 | 33 | 333.229 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 9.32 | -37.82 | 1 | 3 | 1 | 34 | 334.237 | 5 | ↓ |