In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 26 | Yes |
Popular Name: 4-acetyl-N-[4-[(4-methyl-1-piperidyl)methyl]thiazol-2-yl]benzenesulfonamide 4-acetyl-N-[4-[(4-methyl-1-piper…
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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) | 3.77 | 7.95 | -61.99 | 2 | 6 | 1 | 84 | 394.542 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 5.74 | -16.64 | 1 | 6 | 0 | 83 | 393.534 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 5.4 | -47.05 | 0 | 6 | -1 | 81 | 392.526 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 7.67 | -50.17 | 1 | 6 | 0 | 83 | 393.534 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.