| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-methyl-N-(2-pyridylmethyl)ethane-1,2-diamine (1S)-1-(5-bromo-2-thienyl)-N-met…
| 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) | 1.79 | 4.67 | -48.15 | 3 | 3 | 1 | 44 | 327.271 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 3.79 | -4.94 | 2 | 3 | 0 | 42 | 326.263 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 5.54 | -34.54 | 3 | 3 | 1 | 43 | 327.271 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 4.74 | -106.45 | 4 | 3 | 2 | 45 | 328.279 | 5 | ↓ |
