| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 23 | No |
Popular Name: (2S)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-(2-nitrophenyl)propanamide (2S)-2-[[(1S,2R,3S)-2,3-dimethyl…
| 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) | 3.53 | 8.95 | -39.19 | 3 | 6 | 1 | 92 | 320.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 7.34 | -29.07 | 2 | 6 | 0 | 98 | 319.405 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 6.7 | -44.78 | 1 | 6 | -1 | 93 | 318.397 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
