In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 16 | Yes |
Popular Name: N-[[(2S)-1-[(4-bromo-2-thienyl)methyl]pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-[(4-bromo-2-thienyl)m…
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) | 2.58 | 5.34 | -42.38 | 2 | 2 | 1 | 20 | 304.277 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 7.67 | -115.76 | 3 | 2 | 2 | 21 | 305.285 | 5 | ↓ |