In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | Yes |
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) | 3.73 | 9.28 | -17.46 | 0 | 7 | 0 | 82 | 431.444 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.73 | 12.18 | -46.22 | 1 | 7 | 1 | 83 | 432.452 | 3 | ↓ |