In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2010 | 15 | 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) | 2.24 | 5.27 | -38.57 | 2 | 2 | 1 | 20 | 205.325 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.24 | 7.17 | -111.59 | 3 | 2 | 2 | 21 | 206.333 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.24 | 5.81 | -31.06 | 2 | 2 | 1 | 16 | 205.325 | 3 | ↓ |