In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(p-tolyl)butyl]-methyl-amino]-N-ethyl-acetamide 2-[[(1R,2R)-2-amino-1-(p-tolyl)b…
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) | 2.10 | 5.66 | -116.82 | 5 | 4 | 2 | 61 | 279.428 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 5.33 | -32.74 | 4 | 4 | 1 | 60 | 278.42 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 4.27 | -46.26 | 4 | 4 | 1 | 60 | 278.42 | 7 | ↓ |