In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 23 | No |
Popular Name: 1-[[3-(3-nitrophenyl)-1,2,4-triazol-1-yl]methyl]azocane 1-[[3-(3-nitrophenyl)-1,2,4-tria…
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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) | 3.45 | 12.54 | -50.2 | 1 | 7 | 1 | 81 | 316.385 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 11.18 | -11.58 | 0 | 7 | 0 | 80 | 315.377 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.