In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 6th, 2006 | 22 | No |
Popular Name: 2-[(4-bromo-2-fluoro-phenyl)carbamoylmethyl-methyl-amino]-N,N-diethyl-acetamide 2-[(4-bromo-2-fluoro-phenyl)carb…
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) | 2.52 | 7.91 | -48.62 | 2 | 5 | 1 | 54 | 375.262 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 5.69 | -14.44 | 1 | 5 | 0 | 53 | 374.254 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 6.99 | -34.67 | 1 | 5 | 0 | 60 | 374.254 | 7 | ↓ |