| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 18 | Yes |
Popular Name: (2S)-1-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1R,2R,4S)-2,4-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) | 2.04 | 5.78 | -102.88 | 4 | 3 | 2 | 41 | 256.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 6.31 | -38.76 | 3 | 3 | 1 | 44 | 255.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 3.25 | -37.71 | 3 | 3 | 1 | 40 | 255.426 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
