| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 23 | Yes |
Popular Name: 3-[(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)sulfonyl]benzonitrile 3-[(1-methyl-3,5-dihydro-2H-1,4-…
| 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) | 2.30 | 7.4 | -10.84 | 0 | 5 | 0 | 64 | 327.409 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | 7.31 | -45.98 | 1 | 5 | 1 | 66 | 328.417 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
