In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 40 | 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) | 7.42 | 14.5 | -6.27 | 1 | 5 | 0 | 64 | 550.828 | 4 | ↓ |
Lo Low (pH 4.5-6) | 7.42 | 14.96 | -33 | 2 | 5 | 1 | 66 | 551.836 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.