| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 17 | Yes |
Popular Name: (S)-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-phenyl-methanamine (S)-(2-methyl-5-propyl-1,2,4-tri…
| 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) | 1.69 | 5.28 | -7.88 | 2 | 4 | 0 | 57 | 230.315 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 5.6 | -48.1 | 3 | 4 | 1 | 58 | 231.323 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
