| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 18 | Yes |
Popular Name: (2S)-N1-[(1R,2S)-2-methoxycyclopentyl]-2-phenyl-propane-1,2-diamine (2S)-N1-[(1R,2S)-2-methoxycyclop…
| 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) | 2.40 | 5.11 | -32.57 | 4 | 3 | 1 | 52 | 249.378 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 4.11 | -2.56 | 3 | 3 | 0 | 47 | 248.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 4.45 | -38.57 | 4 | 3 | 1 | 49 | 249.378 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 5.48 | -121.66 | 5 | 3 | 2 | 53 | 250.386 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
