In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: N,N-dimethyl-N'-[(2-phenyltriazol-4-yl)methyl]butane-1,4-diamine N,N-dimethyl-N'-[(2-phenyltriazo…
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) | 1.50 | 7.89 | -100.09 | 3 | 5 | 2 | 52 | 275.4 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 6.55 | -39.15 | 2 | 5 | 1 | 47 | 274.392 | 8 | ↓ |