In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2009 | 30 | 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) | 3.97 | 8.97 | -12.87 | 0 | 6 | 0 | 65 | 403.434 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.97 | 11.83 | -54.85 | 1 | 6 | 1 | 66 | 404.442 | 5 | ↓ |