| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 16 | Yes |
Popular Name: (2S)-N-(2-thienylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine (2S)-N-(2-thienylmethyl)-2-(1H-1…
| 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) | 1.76 | 6.73 | -47.07 | 3 | 4 | 1 | 58 | 255.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 5.36 | -6.32 | 2 | 4 | 0 | 54 | 254.384 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-thenyl-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]amine](http://zinc12.docking.org/img/rings/96833.gif)