In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 15 | Yes |
Popular Name: N'-methyl-N-[(1R)-1-methylpropyl]-N'-(thiazol-4-ylmethyl)ethane-1,2-diamine N'-methyl-N-[(1R)-1-methylpropyl…
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) | 1.91 | 3.48 | -37.54 | 2 | 3 | 1 | 33 | 228.385 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 2.46 | -3.98 | 1 | 3 | 0 | 28 | 227.377 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.91 | 5.84 | -110.3 | 3 | 3 | 2 | 34 | 229.393 | 7 | ↓ |