| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (1R)-1-(3-bromo-2-thienyl)-N-[(1R)-1-cyclopentylethyl]ethanamine (1R)-1-(3-bromo-2-thienyl)-N-[(1…
| 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) | 4.80 | 8.44 | -32.98 | 2 | 1 | 1 | 17 | 303.289 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.80 | 7.4 | -1.93 | 1 | 1 | 0 | 12 | 302.281 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
