In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 18 | Yes |
Popular Name: 2-methoxy-N-[[(2S)-1-(3-pyridylmethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2S)-1-(3-pyridylm…
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) | 0.31 | 4.48 | -32.48 | 2 | 4 | 1 | 39 | 250.366 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.31 | 3.94 | -40.52 | 2 | 4 | 1 | 42 | 250.366 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.31 | 5.73 | -119.72 | 3 | 4 | 2 | 43 | 251.374 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.