| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 22 | Yes |
Popular Name: (2S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propan-2-amine (2S)-N-(2,1,3-benzoxadiazol-5-yl…
| 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) | 2.89 | 6.81 | -58.26 | 2 | 6 | 1 | 73 | 320.804 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 5.64 | -10.79 | 1 | 6 | 0 | 69 | 319.796 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
