In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2011 | 28 | 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) | 3.59 | 11.67 | -31.49 | 0 | 9 | -1 | 137 | 436.834 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.59 | 10.67 | -17.06 | 1 | 9 | 0 | 134 | 437.842 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.