In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 15 | Yes |
Popular Name: (2R)-N1-(2-dimethylaminoethyl)-N1-isobutyl-butane-1,2-diamine (2R)-N1-(2-dimethylaminoethyl)-N…
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) | 1.24 | 5.32 | -91.12 | 4 | 3 | 2 | 35 | 217.401 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.24 | 2.86 | -36.13 | 3 | 3 | 1 | 34 | 216.393 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.24 | 6.73 | -222.67 | 5 | 3 | 3 | 37 | 218.409 | 8 | ↓ |