In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2008 | 14 | 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) | 0.99 | 1.33 | -40.59 | 0 | 3 | -1 | 49 | 221.286 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.54 | 3.66 | -48.18 | 2 | 3 | 1 | 47 | 223.302 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.99 | 1.81 | -64 | 1 | 3 | 0 | 50 | 222.294 | 1 | ↓ |