In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 21 | 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) | 3.87 | 8.56 | -40.36 | 0 | 4 | -1 | 66 | 407.041 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.87 | 9.02 | -59.35 | 1 | 4 | 0 | 67 | 408.049 | 2 | ↓ |