| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 2013 | 24 | Yes |
Popular Name: 3-Amino-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-benzo[e][1,4]diazepin-2(3H)-one 3-Amino-5-phenyl-1-(2,2,2-triflu…
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CAS Numbers: 177954-78-8 , [177954-78-8]
| 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) | 2.40 | 5.33 | -42.25 | 3 | 4 | 1 | 60 | 334.321 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 4.99 | -12.37 | 2 | 4 | 0 | 59 | 333.313 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.