In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 17 | Yes |
Popular Name: N-[(S)-(5-bromo-2-thienyl)-(4-chlorophenyl)methyl]ethanamine N-[(S)-(5-bromo-2-thienyl)-(4-ch…
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) | 5.16 | 9.19 | -41.9 | 2 | 1 | 1 | 17 | 331.686 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.16 | 8.08 | -3 | 1 | 1 | 0 | 12 | 330.678 | 4 | ↓ |