In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 28 | 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) | 3.25 | 0.21 | -10.18 | 0 | 5 | 0 | 51 | 376.504 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.25 | 0.27 | -42.26 | 1 | 5 | 1 | 52 | 377.512 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.25 | 0.35 | -36.52 | 1 | 5 | 1 | 52 | 377.512 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.25 | 0.42 | -83.51 | 2 | 5 | 2 | 54 | 378.52 | 4 | ↓ |