In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 20 | Yes |
Popular Name: 4-[[[(1S)-1-(5-bromo-2-thienyl)ethyl]amino]methyl]-N-methyl-benzamide 4-[[[(1S)-1-(5-bromo-2-thienyl)e…
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) | 3.48 | 6.91 | -54.5 | 3 | 3 | 1 | 46 | 354.293 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 5.69 | -9.83 | 2 | 3 | 0 | 41 | 353.285 | 5 | ↓ |