| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | No |
Popular Name: 5-[[(1S)-1-cyclopropylethyl]-methyl-amino]-4-propyl-1,2,4-triazole-3-thiol 5-[[(1S)-1-cyclopropylethyl]-met…
| 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) | 1.95 | 10.06 | -9.69 | 1 | 4 | 0 | 37 | 240.376 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 10.16 | -45.07 | 0 | 4 | -1 | 34 | 239.368 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 9.17 | -46.15 | 1 | 4 | 0 | 35 | 240.376 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
