In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2008 | 30 | No |
None
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) | 3.57 | 2.08 | -49.43 | 1 | 5 | 1 | 57 | 403.433 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.57 | 2.14 | -126.03 | 2 | 5 | 2 | 58 | 404.441 | 3 | ↓ |