| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 14 | No |
Popular Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1,1-dioxo-thiolan-3-amine (3S)-N-(1H-imidazol-5-ylmethyl)-…
| 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) | -0.76 | -0.07 | -47.81 | 3 | 5 | 1 | 76 | 216.286 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | -0.53 | -17.32 | 2 | 5 | 0 | 75 | 215.278 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | 0.59 | -66.4 | 3 | 5 | 1 | 79 | 216.286 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | 0.62 | -57.31 | 3 | 5 | 1 | 79 | 216.286 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | -0.55 | -16.65 | 2 | 5 | 0 | 75 | 215.278 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
