In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 16 | Yes |
Popular Name: N',N'-dimethyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)ethane-1,2-diamine N',N'-dimethyl-N-(3-methyl-[1,2,…
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) | -0.04 | 5.84 | -43.71 | 2 | 6 | 1 | 60 | 221.288 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.04 | 3.37 | -10.19 | 1 | 6 | 0 | 58 | 220.28 | 4 | ↓ |