In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (2R)-N1-[(1S)-1,3-dimethylbutyl]-N1,N2,3,3-tetramethyl-butane-1,2-diamine (2R)-N1-[(1S)-1,3-dimethylbutyl]…
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) | 3.80 | 8.3 | -108.81 | 3 | 2 | 2 | 21 | 230.44 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.80 | 8.04 | -35.48 | 2 | 2 | 1 | 20 | 229.432 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 7.17 | -28.22 | 2 | 2 | 1 | 16 | 229.432 | 7 | ↓ |