In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 37 | 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) | 5.02 | 14.11 | -13.93 | 1 | 5 | 0 | 54 | 491.635 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.02 | 15.92 | -44.41 | 2 | 5 | 1 | 56 | 492.643 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.02 | 16.38 | -86.36 | 3 | 5 | 2 | 57 | 493.651 | 9 | ↓ |