| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 17 | Yes |
Popular Name: (1R,2S)-1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2-methyl-butan-1-amine (1R,2S)-1-(4-cyclopentyl-5-methy…
| 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) | 0.17 | 6.26 | -45.5 | 3 | 4 | 1 | 58 | 237.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 5.96 | -7.37 | 2 | 4 | 0 | 57 | 236.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
