In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 18 | 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) | 2.38 | 6.2 | -52.71 | 1 | 3 | -1 | 42 | 257.338 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 5.67 | -8.37 | 1 | 3 | 0 | 42 | 258.346 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 6.67 | -46.86 | 2 | 3 | 0 | 43 | 258.346 | 3 | ↓ |