In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 16 | Yes |
Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(2R)-2-methyl-1-piperidyl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(2…
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) | 2.60 | 4.18 | -48.26 | 3 | 2 | 1 | 31 | 304.277 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 6.14 | -130.64 | 4 | 2 | 2 | 32 | 305.285 | 3 | ↓ |