| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: [(3R)-1-methylpyrrolidin-3-yl]-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone [(3R)-1-methylpyrrolidin-3-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) | 1.26 | 6.71 | -90.18 | 3 | 4 | 2 | 41 | 261.369 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 3.03 | -9.29 | 1 | 4 | 0 | 36 | 259.353 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 5.46 | -36.3 | 2 | 4 | 1 | 37 | 260.361 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 4.29 | -52.65 | 2 | 4 | 1 | 40 | 260.361 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
