In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 35 | Yes |
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) | 5.56 | 1.01 | -52.53 | 0 | 8 | -1 | 92 | 486.987 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.56 | 1.08 | -39.74 | 1 | 8 | 0 | 93 | 487.995 | 9 | ↓ |