| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | Yes |
Popular Name: 1-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[[(3R)-3-methyl-1-piperidyl]su…
| 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) | 1.94 | 3.75 | -10.49 | 1 | 5 | 0 | 53 | 309.435 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 5.01 | -46.31 | 2 | 5 | 1 | 57 | 310.443 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
