In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: (1S)-1-(p-tolyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine (1S)-1-(p-tolyl)-N-[(1R)-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) | 3.40 | 9.99 | -45.27 | 2 | 4 | 1 | 47 | 281.383 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 9.06 | -12.53 | 1 | 4 | 0 | 42 | 280.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.