In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 25 | No |
Popular Name: N-methyl-N-[1-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]-4-piperidyl]ethanesulfonamide N-methyl-N-[1-[(3-methyl-2-thiox…
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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) | 1.74 | 7.38 | -21.68 | 0 | 6 | 0 | 50 | 382.555 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 9.63 | -52.98 | 1 | 6 | 1 | 52 | 383.563 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.