In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | Yes |
Popular Name: 1-prop-2-ynyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine 1-prop-2-ynyl-N-[(1S)-1-([1,2,4]…
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) | 1.57 | 7.09 | -46.12 | 2 | 5 | 1 | 50 | 284.387 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 5.98 | -14.64 | 1 | 5 | 0 | 45 | 283.379 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.