In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 37 | 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) | 3.32 | 6.62 | -19.1 | 2 | 9 | 0 | 116 | 503.555 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 6.98 | -59.36 | 3 | 9 | 1 | 118 | 504.563 | 6 | ↓ |