In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 18 | Yes |
Popular Name: N-[(S)-(5-bromo-2-thienyl)-(4-ethylphenyl)methyl]ethanamine N-[(S)-(5-bromo-2-thienyl)-(4-et…
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) | 5.40 | 10.11 | -37.64 | 2 | 1 | 1 | 17 | 325.295 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.40 | 9.05 | -2.37 | 1 | 1 | 0 | 12 | 324.287 | 5 | ↓ |