| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 20 | No |
Popular Name: 4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxy-tetrahydropyran-4-carboxamidine 4-[(3S)-3-(dimethylamino)pyrroli…
| 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) | -0.71 | 0.3 | -42.31 | 4 | 7 | 1 | 93 | 285.368 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.71 | -2.1 | -6.08 | 3 | 7 | 0 | 91 | 284.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
