In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 17 | No |
Popular Name: N-(4-Sulfophenyl)biguanide N-(4-Sulfophenyl)biguanide
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CAS Number: 39604-29-0
4-((((amino(imino)methyl)amino)(imino)methyl)amino)benzenesulfonic acid; 6405-80-7; nsc17580
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) | -2.69 | 1.43 | -72.29 | 7 | 8 | 0 | 157 | 257.275 | 5 | ↓ |
Hi High (pH 8-9.5) | -2.69 | 1.51 | -49.81 | 6 | 8 | -1 | 155 | 256.267 | 5 | ↓ |
Mid Mid (pH 6-8) | -2.69 | 1.46 | -45.31 | 6 | 8 | 0 | 155 | 256.267 | 5 | ↓ |
Lo Low (pH 4.5-6) | -2.81 | 0.48 | -60.69 | 7 | 8 | 0 | 159 | 257.275 | 4 | ↓ |
Lo Low (pH 4.5-6) | -2.81 | 1.29 | -46.16 | 6 | 8 | -1 | 157 | 256.267 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.