In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 13 | 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) | 2.17 | 5.12 | -6.31 | 1 | 2 | 0 | 36 | 174.247 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.17 | 6.06 | -45.69 | 2 | 2 | 1 | 40 | 175.255 | 3 | ↓ |