In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 16 | Yes |
Popular Name: 3-[[(1R,2S)-2-amino-1-(5-methyl-2-thienyl)propyl]-methyl-amino]propanenitrile 3-[[(1R,2S)-2-amino-1-(5-methyl-…
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) | 0.71 | 3.76 | -51.8 | 3 | 3 | 1 | 55 | 238.38 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 3.94 | -6.81 | 2 | 3 | 0 | 53 | 237.372 | 5 | ↓ |