In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 29 | 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) | 5.54 | 12.56 | -45.13 | 2 | 3 | 1 | 29 | 387.478 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.54 | 10.47 | -8.88 | 1 | 3 | 0 | 28 | 386.47 | 4 | ↓ |