In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 16 | No |
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) | 1.39 | 2.81 | -15.46 | 2 | 3 | 0 | 38 | 236.34 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.39 | 5.16 | -56.43 | 3 | 3 | 1 | 40 | 237.348 | 3 | ↓ |