In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 14 | 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) | -0.28 | 1.38 | -31.43 | 3 | 4 | 1 | 46 | 200.306 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.28 | 2.64 | -109.07 | 4 | 4 | 2 | 50 | 201.314 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.28 | 0.55 | -37.38 | 3 | 4 | 1 | 49 | 200.306 | 3 | ↓ |