| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 17 | Yes |
Popular Name: (2S)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-thienylmethyl)propan-1-amine (2S)-2-(3,5-dimethyl-1,2,4-triaz…
| 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) | 1.08 | 7.21 | -48.42 | 2 | 4 | 1 | 47 | 251.379 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 6 | -8.23 | 1 | 4 | 0 | 43 | 250.371 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-thenyl-[2-(1,2,4-triazol-1-yl)ethyl]amine](http://zinc12.docking.org/img/rings/69732.gif)