In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 18 | 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) | 2.40 | 8.25 | -33.31 | 2 | 2 | 1 | 16 | 243.374 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 9.04 | -117.49 | 3 | 2 | 2 | 21 | 244.382 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 6.7 | -43.51 | 2 | 2 | 1 | 20 | 243.374 | 3 | ↓ |