| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 13 | Yes |
Popular Name: (1S)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine (1S)-1-cyclopropyl-2-(3,5-dimeth…
| 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) | -0.63 | 4.29 | -40.64 | 3 | 4 | 1 | 58 | 181.263 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.63 | 3.95 | -6.9 | 2 | 4 | 0 | 57 | 180.255 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.63 | 4.72 | -95.34 | 4 | 4 | 2 | 60 | 182.271 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
