In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 2-[4-[[(1S)-1-(3-bromophenyl)ethyl]amino]-1-piperidyl]acetamide 2-[4-[[(1S)-1-(3-bromophenyl)eth…
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) | 1.99 | 3.39 | -44.35 | 4 | 4 | 1 | 63 | 341.273 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 2.36 | -8.43 | 3 | 4 | 0 | 58 | 340.265 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 4.56 | -39.07 | 4 | 4 | 1 | 60 | 341.273 | 5 | ↓ |