In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 19 | Yes |
Popular Name: N-[(S)-(5-bromo-2-thienyl)-(3,4-difluorophenyl)methyl]propan-1-amine N-[(S)-(5-bromo-2-thienyl)-(3,4-…
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) | 5.24 | 9.62 | -48.2 | 2 | 1 | 1 | 17 | 347.248 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.24 | 8.51 | -4.43 | 1 | 1 | 0 | 12 | 346.24 | 5 | ↓ |