In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 32 | 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) | 3.03 | 9.17 | -64.83 | 0 | 7 | -1 | 88 | 436.484 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 8.42 | -17.66 | 1 | 7 | 0 | 85 | 437.492 | 11 | ↓ |