In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: 3-[(1S)-1-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]phenol 3-[(1S)-1-[[(1S)-1-([1,2,4]triaz…
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) | 2.44 | 6.67 | -47.41 | 3 | 5 | 1 | 67 | 283.355 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 5.77 | -14.95 | 2 | 5 | 0 | 62 | 282.347 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.