| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 18 | Yes |
Popular Name: 1-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(2-pyrrolidin-1-ylethyl)-2,3,4…
| 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) | 1.84 | 7.97 | -97.97 | 3 | 3 | 2 | 24 | 247.386 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 5.6 | -39.73 | 2 | 3 | 1 | 23 | 246.378 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 6.7 | -34.29 | 2 | 3 | 1 | 20 | 246.378 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
