| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 16 | No |
Popular Name: (1S,2R)-2-imidazol-1-yl-N-(3-methylsulfanylpropyl)cyclopentanamine (1S,2R)-2-imidazol-1-yl-N-(3-met…
| 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) | 1.46 | 8.21 | -43.3 | 2 | 3 | 1 | 34 | 240.396 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 7.2 | -6.86 | 1 | 3 | 0 | 30 | 239.388 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 9.32 | -103.35 | 3 | 3 | 2 | 36 | 241.404 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
