In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2008 | 25 | No |
Popular Name: N-methyl-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butan-1-amine N-methyl-N-[2-(2-methyl-5-nitro-…
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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) | 0.70 | 14.17 | -63.94 | 1 | 11 | 1 | 132 | 352.375 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 14.64 | -121.42 | 2 | 11 | 2 | 133 | 353.383 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 14.65 | -106.23 | 2 | 11 | 2 | 133 | 353.383 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 15.12 | -172.21 | 3 | 11 | 3 | 134 | 354.391 | 10 | ↓ |