| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 19 | No |
Popular Name: 3-methyl-5-nitro-N-[(1S)-1-(2-thienyl)butyl]imidazol-4-amine 3-methyl-5-nitro-N-[(1S)-1-(2-th…
| 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) | 2.66 | 7.79 | -11.91 | 1 | 6 | 0 | 75 | 281.361 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.56 | 9.96 | -47.55 | 2 | 6 | 1 | 78 | 281.361 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 10.05 | -39.56 | 2 | 6 | 1 | 80 | 281.361 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 9.55 | -18.04 | 1 | 6 | 0 | 76 | 280.353 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
