In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic (2S)-2-(cyclopropylamino)-2-meth…
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) | -0.20 | 9.05 | -48.85 | 2 | 6 | 0 | 87 | 306.391 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.20 | 7.93 | -57.22 | 1 | 6 | -1 | 82 | 305.383 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.