| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | No |
Popular Name: (1S,3R)-3-methyl-1-(4-methyl-3-nitro-anilino)cyclohexanecarboxylic (1S,3R)-3-methyl-1-(4-methyl-3-n…
| 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) | 1.38 | 9.05 | -41.42 | 1 | 6 | -1 | 98 | 291.327 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 7.24 | -7.86 | 2 | 6 | 0 | 95 | 292.335 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
