| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 22 | Yes |
Popular Name: (2S)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-yl]-3-tert-butoxy-propan-2-ol (2S)-1-[4-[(5-bromo-2-thienyl)me…
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| 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) | 2.99 | 3.06 | -5.5 | 1 | 4 | 0 | 36 | 391.375 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 5.33 | -40.44 | 2 | 4 | 1 | 37 | 392.383 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 5.32 | -40.04 | 2 | 4 | 1 | 37 | 392.383 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
