In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 15 | Yes |
Popular Name: (2R)-N2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)propane-1,2-diamine (2R)-N2-(3-methyl-[1,2,4]triazol…
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) | -0.93 | 3.03 | -49.23 | 4 | 6 | 1 | 83 | 207.261 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.93 | 2.46 | -10.41 | 3 | 6 | 0 | 81 | 206.253 | 3 | ↓ |