| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)thiane (3S)-3-(2,3,4,5-tetrahydro-1,4-b…
| 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) | 1.20 | 3.84 | -49.17 | 2 | 4 | 1 | 54 | 281.401 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 2.56 | -11.19 | 1 | 4 | 0 | 49 | 280.393 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
