In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 25 | 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) | 0.44 | -6.18 | -30.79 | 0 | 8 | 0 | 83 | 366.443 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.44 | -6.11 | -44.37 | 1 | 8 | 1 | 84 | 367.451 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.