In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2010 | 21 | No |
Popular Name: Methanone, (4-methyl-1-piperazinyl)(7-nitro-1H-benzimidazol-2-yl)- Methanone, (4-methyl-1-piperazin…
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CAS Number: 673487-09-7
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 | 3.91 | -46.72 | 0 | 8 | -1 | 96 | 288.287 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.78 | 6.26 | -62.13 | 1 | 8 | 0 | 98 | 289.295 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.78 | 6.71 | -43.27 | 2 | 8 | 1 | 99 | 290.303 | 2 | ↓ |