In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 16 | Yes |
Popular Name: N-methyl-N-[(2-methylthiazol-4-yl)methyl]hexane-1,6-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) | 0.98 | 5.62 | -87.38 | 4 | 3 | 2 | 45 | 243.42 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 3.25 | -44.08 | 3 | 3 | 1 | 44 | 242.412 | 8 | ↓ |