In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: (2S)-4-(2-furyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine (2S)-4-(2-furyl)-N-[(1S)-1-([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) | 2.65 | 9.15 | -47.29 | 2 | 5 | 1 | 60 | 285.371 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 8.15 | -15.36 | 1 | 5 | 0 | 55 | 284.363 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.