In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 20th, 2011 | 25 | Yes |
Popular Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-fluoro-benzenesulfonamide N-[5-chloro-2-(4-methylpiperazin…
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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) | 3.44 | 7.83 | -45.33 | 2 | 5 | 1 | 54 | 384.884 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 5.47 | -43.67 | 0 | 5 | -1 | 55 | 382.868 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 5.49 | -7.75 | 1 | 5 | 0 | 53 | 383.876 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 7.83 | -58.33 | 1 | 5 | 0 | 56 | 383.876 | 4 | ↓ |