In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 20 | Yes |
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) | 3.62 | 7.66 | -4.11 | 1 | 3 | 0 | 38 | 274.408 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.62 | 7.71 | -30.98 | 2 | 3 | 1 | 39 | 275.416 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.