In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | 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) | 4.29 | 9.92 | -52.66 | 1 | 3 | -1 | 52 | 276.315 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.29 | 7.93 | -8.47 | 2 | 3 | 0 | 49 | 277.323 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.