In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | Yes |
Popular Name: (1R,2S)-2-methoxy-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexanamine (1R,2S)-2-methoxy-N-[(1R)-1-([1,…
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) | 2.36 | 7.57 | -41.62 | 2 | 5 | 1 | 56 | 275.376 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 6.51 | -14.53 | 1 | 5 | 0 | 51 | 274.368 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.