| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-[(1S)-1-cyclopentylethyl]ethanamine (1S)-1-(5-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) | 5.00 | 8.71 | -36.49 | 2 | 1 | 1 | 17 | 303.289 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.00 | 7.91 | -1.11 | 1 | 1 | 0 | 12 | 302.281 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
