In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 20 | Yes |
Popular Name: [4-[[(1S)-1-(5-bromo-2-thienyl)ethyl]amino]-1-piperidyl]-cyclopropyl-methanone [4-[[(1S)-1-(5-bromo-2-thienyl)e…
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) | 3.50 | 8.39 | -48.31 | 2 | 3 | 1 | 37 | 358.325 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 7.36 | -7.75 | 1 | 3 | 0 | 32 | 357.317 | 4 | ↓ |