In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 19 | Yes |
Popular Name: 1-[4-[(1S,2S)-2-amino-1-(4-bromo-2-thienyl)propyl]piperazin-1-yl]ethanone 1-[4-[(1S,2S)-2-amino-1-(4-bromo…
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) | 1.02 | 3 | -50.98 | 3 | 4 | 1 | 51 | 347.302 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 2.7 | -7.54 | 2 | 4 | 0 | 50 | 346.294 | 3 | ↓ |