In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 15 | 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) | 1.42 | 3.31 | -55.32 | 2 | 4 | -1 | 79 | 201.205 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.42 | 3.8 | -29.73 | 3 | 4 | 0 | 80 | 202.213 | 1 | ↓ |