In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 17 | Yes |
Popular Name: N-[[(2S)-1-[(3-bromo-2-thienyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-[(3-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) | 3.23 | 6.95 | -30.71 | 2 | 2 | 1 | 20 | 318.304 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.23 | 8.76 | -101.2 | 3 | 2 | 2 | 21 | 319.312 | 5 | ↓ |