| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | No |
Popular Name: 4-[(1S)-1-(dimethylaminomethyl)-3-methyl-butyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-[(1S)-1-(dimethylaminomethyl)-…
| 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) | 2.89 | 8.61 | -30.12 | 1 | 5 | 0 | 48 | 305.451 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 6.93 | -47.37 | 0 | 5 | -1 | 47 | 304.443 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 9.09 | -40.22 | 2 | 5 | 1 | 51 | 306.459 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
