In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 17 | Yes |
Popular Name: 7-(ethylaminomethyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-(ethylaminomethyl)-1,5-dihydro…
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) | 0.29 | 1.99 | -55.72 | 4 | 5 | 1 | 75 | 234.279 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.88 | 0.99 | -76.63 | 4 | 5 | 0 | 88 | 233.271 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.