In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 32 | Yes |
None
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) | 0.78 | 3.96 | -20.29 | 2 | 10 | 0 | 118 | 441.467 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.78 | 4.9 | -63.34 | 1 | 10 | -1 | 121 | 440.459 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 4.66 | -116.97 | 4 | 10 | 2 | 124 | 443.483 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 2.73 | -50.53 | 3 | 10 | 1 | 123 | 442.475 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 6.6 | -73.83 | 3 | 10 | 1 | 127 | 442.475 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.78 | 5.93 | -67.42 | 3 | 10 | 1 | 119 | 442.475 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.