In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 12 | Yes |
Popular Name: N-methyl-N-[(2-methylthiazol-4-yl)methyl]ethane-1,2-diamine N-methyl-N-[(2-methylthiazol-4-y…
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) | -0.57 | 0.13 | -44.95 | 3 | 3 | 1 | 44 | 186.304 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.57 | 2.51 | -113.47 | 4 | 3 | 2 | 45 | 187.312 | 4 | ↓ |