In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | Yes |
Popular Name: 2-[4-(5-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamine 2-[4-(5-fluoro-2-methyl-phenyl)s…
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) | 0.76 | 2.1 | -51.54 | 3 | 5 | 1 | 68 | 316.422 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.76 | 3.92 | -127.93 | 4 | 5 | 2 | 69 | 317.43 | 4 | ↓ |