In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2005 | 25 | Yes |
None
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) | 4.26 | -0.91 | -112.2 | 3 | 4 | 2 | 43 | 361.917 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.26 | -0.71 | -176.72 | 4 | 4 | 3 | 44 | 362.925 | 1 | ↓ |