In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2008 | 29 | 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) | 0.48 | -1.11 | -18.98 | 4 | 9 | 0 | 131 | 404.398 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.48 | 0.08 | -54.26 | 5 | 9 | 1 | 135 | 405.406 | 6 | ↓ |