In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 20 | Yes |
Popular Name: N-[(S)-(5-bromo-2-thienyl)-(4-isopropylphenyl)methyl]propan-1-amine N-[(S)-(5-bromo-2-thienyl)-(4-is…
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) | 6.50 | 11.43 | -38.55 | 2 | 1 | 1 | 17 | 353.349 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.50 | 10.32 | -2.28 | 1 | 1 | 0 | 12 | 352.341 | 6 | ↓ |