In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 16 | Yes |
Popular Name: N-[(1R)-1,3-dimethylbutyl]-N'-isopentyl-N-methyl-ethane-1,2-diamine N-[(1R)-1,3-dimethylbutyl]-N'-is…
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) | 3.41 | 8.64 | -112.6 | 3 | 2 | 2 | 21 | 230.44 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 7.31 | -31.46 | 2 | 2 | 1 | 16 | 229.432 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 6.78 | -37.45 | 2 | 2 | 1 | 20 | 229.432 | 9 | ↓ |