In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2010 | 17 | Yes |
Popular Name: (2R)-N1-butyl-N2-methyl-N2-[(2-methylthiazol-4-yl)methyl]propane-1,2-diamine (2R)-N1-butyl-N2-methyl-N2-[(2-m…
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) | 1.83 | 5.07 | -33.67 | 2 | 3 | 1 | 33 | 256.439 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 3.75 | -3.69 | 1 | 3 | 0 | 28 | 255.431 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 7.09 | -108.71 | 3 | 3 | 2 | 34 | 257.447 | 8 | ↓ |