| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2010 | 11 | Yes |
Popular Name: N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropanamine N-[(5-methyl-1H-1,2,4-triazol-3-…
| 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) | -0.49 | 2.92 | -33.57 | 3 | 4 | 1 | 58 | 153.209 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 1.62 | -7.05 | 2 | 4 | 0 | 54 | 152.201 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.49 | 2.78 | -32.21 | 2 | 4 | 0 | 56 | 152.201 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
