In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 29 | Yes |
Popular Name: N-tert-butyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-[(2-oxo-3,4-di…
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) | 1.87 | 4.66 | -52.54 | 3 | 8 | 1 | 100 | 423.559 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 2.31 | -16.54 | 2 | 8 | 0 | 99 | 422.551 | 5 | ↓ |