In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2010 | 16 | Yes |
Popular Name: (2S)-3-[[(1R,2R)-2-amino-1-(2-furyl)propyl]-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[(1R,2R)-2-amino-1-(2-fu…
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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) | 0.92 | 5.11 | -118.61 | 4 | 4 | 2 | 69 | 223.32 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 4.77 | -43.43 | 3 | 4 | 1 | 67 | 222.312 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 2.69 | -47.25 | 3 | 4 | 1 | 68 | 222.312 | 5 | ↓ |