In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 16 | Yes |
Popular Name: (3S)-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine (3S)-1-(3-methyl-[1,2,4]triazolo…
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) | -0.83 | 3.91 | -55.55 | 3 | 6 | 1 | 74 | 219.272 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.83 | 3.63 | -10.98 | 2 | 6 | 0 | 72 | 218.264 | 1 | ↓ |