UCSF

ZINC40655852

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 22 No

Popular Name: (2E)-2-[6-(2-aminoethylamino)benzo[c][1]benzazepin-11-ylidene]acetonitrile (2E)-2-[6-(2-aminoethylamino)ben…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.41 6.92 -52.02 4 4 1 76 289.362 3 ↓
Hi High (pH 8-9.5) 2.41 6.54 -9.26 3 4 0 75 288.354 3 ↓
Mid Mid (pH 6-8) 2.58 6.86 -115.96 5 4 2 81 290.37 2 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.