| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 15 | Yes |
Popular Name: (1S)-N-[(4-bromo-2-thienyl)methyl]-1-(3-thienyl)ethanamine (1S)-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) | 3.68 | 7.53 | -41.84 | 2 | 1 | 1 | 17 | 303.27 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 6.35 | -2.44 | 1 | 1 | 0 | 12 | 302.262 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
