| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | No |
Popular Name: 3-methyl-5-nitro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]imidazol-4-amine 3-methyl-5-nitro-N-[(4S)-4,5,6,7…
| 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) | 2.05 | 9.45 | -45.51 | 2 | 6 | 1 | 80 | 279.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 9.39 | -15.32 | 1 | 6 | 0 | 76 | 278.337 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 9.86 | -43.3 | 2 | 6 | 1 | 77 | 279.345 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
