In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 36 | 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) | 4.17 | 7.05 | -94.01 | 3 | 6 | 0 | 118 | 503.7 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.17 | 5.05 | -16.51 | 4 | 6 | 0 | 115 | 504.708 | 9 | ↓ |