In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 3.85 | 8.69 | -15.62 | 0 | 7 | 0 | 66 | 460.53 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.85 | 11.54 | -54.73 | 1 | 7 | 1 | 67 | 461.538 | 4 | ↓ |