| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 20 | Yes |
Popular Name: (3S)-1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[4-chloro-6-(1,2,4-triazo…
| 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) | 0.95 | 12.62 | -45.38 | 1 | 8 | 1 | 77 | 295.758 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 10.21 | -7.81 | 0 | 8 | 0 | 76 | 294.75 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
