| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1-phenyl-ethanamine (1S)-1-(2-methyl-5-propyl-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) | 2.14 | 6.43 | -7.04 | 2 | 4 | 0 | 57 | 244.342 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 5.71 | -48.5 | 3 | 4 | 1 | 58 | 245.35 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
