In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 21 | Yes |
Popular Name: 4-(3-amino-5-fluoro-4-methyl-benzoyl)piperazine-1-sulfonamide 4-(3-amino-5-fluoro-4-methyl-ben…
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) | -0.49 | -1.04 | -15.26 | 4 | 7 | 0 | 110 | 316.358 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.49 | -0.55 | -42.39 | 3 | 7 | -1 | 107 | 315.35 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.