In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 2011 | 25 | Yes |
Popular Name: 2,4,6-trifluoro-N-[4-(1-piperidylmethyl)thiazol-2-yl]benzenesulfonamide 2,4,6-trifluoro-N-[4-(1-piperidy…
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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) | 3.98 | 7.3 | -56.8 | 2 | 5 | 1 | 67 | 392.448 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.06 | 4.73 | -45.47 | 0 | 5 | -1 | 64 | 390.432 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 5.09 | -13.82 | 1 | 5 | 0 | 66 | 391.44 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.06 | 6.98 | -47.65 | 1 | 5 | 0 | 66 | 391.44 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.