In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 28 | No |
None
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) | 1.08 | 2.81 | -19.78 | 0 | 7 | 0 | 90 | 398.44 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.08 | 3.29 | -58.22 | 1 | 7 | 1 | 91 | 399.448 | 2 | ↓ |