In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2011 | 19 | Yes |
Popular Name: (1R)-N-[(4-bromo-2-thienyl)methyl]-1-(4-ethylphenyl)propan-1-amine (1R)-N-[(4-bromo-2-thienyl)methy…
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) | 4.61 | 10.78 | -38.78 | 2 | 1 | 1 | 17 | 339.322 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.61 | 9.56 | -2.89 | 1 | 1 | 0 | 12 | 338.314 | 6 | ↓ |