In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 29 | 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) | 1.55 | 5.62 | -62.4 | 1 | 7 | -1 | 103 | 416.475 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 4.87 | -14.7 | 2 | 7 | 0 | 100 | 417.483 | 9 | ↓ |