In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2009 | 20 | No |
Popular Name: 2-chloro-4-nitro-N-(4H-1,2,4-triazol-3-ylmethyl)benzenesulfonamide 2-chloro-4-nitro-N-(4H-1,2,4-tri…
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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) | 0.53 | 2.34 | -13.75 | 2 | 9 | 0 | 134 | 317.714 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 2.51 | -42.38 | 1 | 9 | -1 | 136 | 316.706 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.