In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 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) | 2.16 | -0.75 | -7.51 | 1 | 3 | 0 | 42 | 203.241 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | -0.69 | -31.87 | 2 | 3 | 1 | 44 | 204.249 | 2 | ↓ |