In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 34 | 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) | 7.15 | 12.11 | -6.59 | 1 | 3 | 0 | 42 | 457.658 | 4 | ↓ |
Lo Low (pH 4.5-6) | 7.15 | 12.57 | -35.89 | 2 | 3 | 1 | 44 | 458.666 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.