In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 19 | 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) | 2.47 | 2.79 | -6.85 | 1 | 3 | 0 | 45 | 250.301 | 1 | ↓ |
Ref Reference (pH 7) | 2.66 | 5.45 | -9.11 | 1 | 3 | 0 | 41 | 250.301 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 6.33 | -29.71 | 2 | 3 | 1 | 43 | 251.309 | 1 | ↓ |