In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 28 | 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) | 1.93 | 4.86 | -17.36 | 5 | 9 | 0 | 135 | 403.464 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 5.52 | -47.28 | 6 | 9 | 1 | 139 | 404.472 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 5.49 | -45.27 | 6 | 9 | 1 | 139 | 404.472 | 5 | ↓ |